Iridoids and derivatives

Description:

Monoterpenes containing a skeleton structurally characterized by the presence of a cylopentane fused to a pyran ( forming a 4,7-dimethylcyclopenta[c]pyran), or a derivative where the pentane moiety is open.

Ancestors:

Organic compounds ⮕ Lipids and lipid-like molecules ⮕ Prenol lipids ⮕ Monoterpenoids ⮕ Iridoids and derivatives

GIV3727
- ≥98%
Cas Number: 957136-80-0

Formula: C₁₂H₂₂O₂ Molecular Weight: 198.30

SMILES: CC1CCC(C1(C)C)CCCC(=O)O

InChIKey: LYFXCRCUENNESS-UHFFFAOYSA-N

InChI: InChI=1S/C12H22O2/c1-9-7-8-10(12(9,2)3)5-4-6-11(13)14/h9-10H,4-8H2,1-3H3,(H,13,14)

Synonyms: 4-(2，2，3-Trimethylcyclopentyl)butanoic Acid
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16-beta Methyl Epoxide
- ≥98%
Cas Number: 24916-90-3 Compound CID: 11143226

Formula: C₂₂H₂₈O₅ Molecular Weight: 372.45

IUPAC Name: (1S,2S,10S,11S,13R,14R,15S,17S)-14-hydroxy-14-(2-hydroxyacetyl)-2,13,15-trimethyl-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-dien-5-one

SMILES: CC1CC2C3CCC4=CC(=O)C=CC4(C35C(O5)CC2(C1(C(=O)CO)O)C)C

InChIKey: GBDXNHBVYAMODG-QDBZYVRYSA-N

InChI: InChI=1S/C22H28O5/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)22(15)18(27-22)10-20(16,3)21(12,26)17(25)11-23/h6-7,9,12,15-16,18,23,26H,4-5,8,10-11H2,1-3Hshow more
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Loganetin
- ≥98%
Cas Number: 29748-10-5 Compound CID: 10466307

IUPAC Name: methyl (1R,4aS,6S,7R,7aS)-1,6-dihydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate

SMILES: CC1C(CC2C1C(OC=C2C(=O)OC)O)O

InChIKey: XWOHZIIPBYAMJX-KHBMLBSESA-N

InChI: InChI=1S/C11H16O5/c1-5-8(12)3-6-7(10(13)15-2)4-16-11(14)9(5)6/h4-6,8-9,11-12,14H,3H2,1-2H3/t5-,6+,8-,9+,11+/m0/s1
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Tricyclo[5.2.1.0²,⁶]decanedimethanol diacrylate (mixture of isomers) (stabilized with MEHQ)
Cas Number: 42594-17-2 Compound CID: 3036974

Formula: C₁₈H₂₄O₄ Molecular Weight: 304.38

IUPAC Name: [8-(prop-2-enoyloxymethyl)-3-tricyclo[5.2.1.02,6]decanyl]methyl prop-2-enoate

SMILES: C=CC(=O)OCC1CCC2C1C3CC(C2C3)COC(=O)C=C

InChIKey: VEBCLRKUSAGCDF-UHFFFAOYSA-N

InChI: InChI=1S/C18H24O4/c1-3-16(19)21-9-11-5-6-14-15-8-12(18(11)14)7-13(15)10-22-17(20)4-2/h3-4,11-15,18H,1-2,5-10H2

Synonyms: Octahydro-1H-4,7-methanoindene-1,5-diyldimethanediyl bisprop-2-enoate | Tox21_301271 | A0HH0W4E4Q | tricyclodecanedim...

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SHIN 1
- ≥98%(HPLC)
Cas Number: 2146095-85-2 Compound CID: 134335083

Formula: C₂₄H₂₄N₄O₂ Molecular Weight: 400.48

IUPAC Name: 6-amino-4-[3-(hydroxymethyl)-5-phenylphenyl]-3-methyl-4-propan-2-yl-2H-pyrano[2,3-c]pyrazole-5-carbonitrile

SMILES: CC1=C2C(=NN1)OC(=C(C2(C3=CC(=CC(=C3)C4=CC=CC=C4)CO)C(C)C)C#N)N

InChIKey: VVVOFJZXKJKHTD-UHFFFAOYSA-N

InChI: InChI=1S/C24H24N4O2/c1-14(2)24(20(12-25)22(26)30-23-21(24)15(3)27-28-23)19-10-16(13-29)9-18(11-19)17-7-5-4-6-8-17/h4-11,14,29H,13,26H2,1-3H3,(H,27,28)

Synonyms: 6-Amino-1,4-dihydro-4-[5-(hydroxymethyl)[1,1'-biphenyl]-3-yl]-3-methyl-4-(1-methylethyl)pyrano[2,3-c]pyrazole-5-carbo...
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Metconazole Solution in Methanol
- 1000μg/mL in Methanol, uncertainty 2%
Cas Number: 125116-23-6

Formula: C₁₇H₂₂ClN₃O Molecular Weight: 319.83

IUPAC Name: 5-[(4-chlorophenyl)methyl]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol

SMILES: CC1(CCC(C1(CN2C=NC=N2)O)CC3=CC=C(C=C3)Cl)C

InChIKey: XWPZUHJBOLQNMN-UHFFFAOYSA-N

InChI: InChI=1S/C17H22ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,11-12,14,22H,7-10H2,1-2H3

Synonyms: Metconazole|125116-23-6|5-[(4-chlorophenyl)methyl]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol|DTXSID40...
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Metconazole Solution in Methanol
- 100μg/mL in Methanol, uncertainty 3%
Cas Number: 125116-23-6

Formula: C₁₇H₂₂ClN₃O Molecular Weight: 319.83

IUPAC Name: 5-[(4-chlorophenyl)methyl]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol

SMILES: CC1(CCC(C1(CN2C=NC=N2)O)CC3=CC=C(C=C3)Cl)C

InChIKey: XWPZUHJBOLQNMN-UHFFFAOYSA-N

InChI: InChI=1S/C17H22ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,11-12,14,22H,7-10H2,1-2H3

Synonyms: Metconazole|125116-23-6|5-[(4-chlorophenyl)methyl]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol|DTXSID40...
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Metconazole Solution in Acetonitrile
- 1000μg/mL in Acetonitrile, uncertainty 2%
Cas Number: 125116-23-6

Formula: C₁₇H₂₂ClN₃O Molecular Weight: 319.83

IUPAC Name: 5-[(4-chlorophenyl)methyl]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol

SMILES: CC1(CCC(C1(CN2C=NC=N2)O)CC3=CC=C(C=C3)Cl)C

InChIKey: XWPZUHJBOLQNMN-UHFFFAOYSA-N

InChI: InChI=1S/C17H22ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,11-12,14,22H,7-10H2,1-2H3

Synonyms: NCGC00255246-01 | 5-(4-chlorobenzyl)-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol | UNII-A2F791945Q | DT...
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Metconazole
Cas Number: 125116-23-6

Formula: C₁₇H₂₂ClN₃O Molecular Weight: 319.83

IUPAC Name: 5-[(4-chlorophenyl)methyl]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol

SMILES: CC1(CCC(C1(CN2C=NC=N2)O)CC3=CC=C(C=C3)Cl)C

InChIKey: XWPZUHJBOLQNMN-UHFFFAOYSA-N

InChI: InChI=1S/C17H22ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,11-12,14,22H,7-10H2,1-2H3

Synonyms: Metconazole|125116-23-6|5-[(4-chlorophenyl)methyl]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol|DTXSID40...
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Genipin
- 10mM in DMSO
Cas Number: 6902-77-8

Formula: C₁₁H₁₄O₅ Molecular Weight: 226.23

IUPAC Name: methyl (1R,4aS,7aS)-1-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate

SMILES: COC(=O)C1=COC(C2C1CC=C2CO)O

InChIKey: AZKVWQKMDGGDSV-BCMRRPTOSA-N

InChI: InChI=1S/C11H14O5/c1-15-10(13)8-5-16-11(14)9-6(4-12)2-3-7(8)9/h2,5,7,9,11-12,14H,3-4H2,1H3/t7-,9-,11-/m1/s1

Synonyms: Genipin|6902-77-8|(+)-Genipin|CHEBI:5298|A3V2NE52YG|ST080860|methyl (1R,4aS,7aS)-1-hydroxy-7-(hydroxymethyl)-1,4a,5,7...
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Metconazole Solution in Acetonitrile
- 100μg/mL in Acetonitrile, uncertainty 3%
Cas Number: 125116-23-6

Formula: C₁₇H₂₂ClN₃O Molecular Weight: 319.83

IUPAC Name: 5-[(4-chlorophenyl)methyl]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol

SMILES: CC1(CCC(C1(CN2C=NC=N2)O)CC3=CC=C(C=C3)Cl)C

InChIKey: XWPZUHJBOLQNMN-UHFFFAOYSA-N

InChI: InChI=1S/C17H22ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,11-12,14,22H,7-10H2,1-2H3

Synonyms: Metconazole|125116-23-6|5-[(4-chlorophenyl)methyl]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol|DTXSID40...
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(4aS,4bS,5aS,6aS,7R,8S,9aS,9bS)-7-Hydroxy-7-(2-hydroxyacetyl)-4a,6a,8-trimethyl-5a,6,6a,7,8,9,9a,9b,10,11-decahydrocyclopenta[1,2]phenanthro[4,4a-b]oxiren-2(4aH)-one
- ≥97%
Cas Number: 981-34-0 Compound CID: 101933

Formula: C₂₂H₂₈O₅ Molecular Weight: 372.44

IUPAC Name: (1S,2S,10S,11S,13S,14R,15S,17S)-14-hydroxy-14-(2-hydroxyacetyl)-2,13,15-trimethyl-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-dien-5-one

SMILES: CC1CC2C3CCC4=CC(=O)C=CC4(C35C(O5)CC2(C1(C(=O)CO)O)C)C

InChIKey: GBDXNHBVYAMODG-DEGNENOVSA-N

InChI: InChI=1S/C22H28O5/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)22(15)18(27-22)10-20(16,3)21(12,26)17(25)11-23/h6-7,9,12,15-16,18,23,26H,4-5,8,10-11H2,1-3Hshow more

Synonyms: DTXSID601020538 | Sulfanilamide, N(1)-(5-methyl-3-isoxazolyl)- | 16-beta-Methyl epoxide | AKOS017343721 | 9beta,11bet...
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