Sesquiterpene lactones

Epoxymicheliolide

Grade & Purity:

≥98%

Cas Number: 1343403-10-0 Compound CID: 71490387

IUPAC Name: (1R,3S,6S,10S,11S,12R)-12-hydroxy-3,12-dimethyl-7-methylidene-2,9-dioxatetracyclo[9.3.0.01,3.06,10]tetradecan-8-one

SMILES: CC1(CCC23C1C4C(CCC2(O3)C)C(=C)C(=O)O4)O

InChIKey: IFWNFKWDSMXFLK-NCWRXGJMSA-N

InChI: InChI=1S/C15H20O4/c1-8-9-4-5-14(3)15(19-14)7-6-13(2,17)11(15)10(9)18-12(8)16/h9-11,17H,1,4-7H2,2-3H3/t9-,10-,11-,13+,14-,15+/m0/s1

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Santamarine

Grade & Purity:

≥95%

Cas Number: 4290-13-5 Compound CID: 188297

IUPAC Name: (3aS,5aR,6R,9aS,9bS)-6-hydroxy-5a,9-dimethyl-3-methylidene-4,5,6,7,9a,9b-hexahydro-3aH-benzo[g][1]benzofuran-2-one

SMILES: CC1=CCC(C2(C1C3C(CC2)C(=C)C(=O)O3)C)O

InChIKey: PLSSEPIRACGCBO-PFFFPCNUSA-N

InChI: InChI=1S/C15H20O3/c1-8-4-5-11(16)15(3)7-6-10-9(2)14(17)18-13(10)12(8)15/h4,10-13,16H,2,5-7H2,1,3H3/t10-,11+,12+,13-,15-/m0/s1

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Reynosin

Grade & Purity:

≥95%

Cas Number: 28254-53-7 Compound CID: 482788

IUPAC Name: (3aS,5aR,6R,9aS,9bS)-6-hydroxy-5a-methyl-3,9-dimethylidene-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-2-one

SMILES: CC12CCC3C(C1C(=C)CCC2O)OC(=O)C3=C

InChIKey: FKBUODICGDOIGB-PFFFPCNUSA-N

InChI: InChI=1S/C15H20O3/c1-8-4-5-11(16)15(3)7-6-10-9(2)14(17)18-13(10)12(8)15/h10-13,16H,1-2,4-7H2,3H3/t10-,11+,12+,13-,15-/m0/s1

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Eupalinilide D

Grade & Purity:

≥98%

Cas Number: 757202-14-5 Compound CID: 11347578

IUPAC Name: (3aR,4R,6R,6aS,7R,9aR,9bR)-6-(chloromethyl)-4,6,7-trihydroxy-9-methyl-3-methylidene-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-2-one

SMILES: CC1=CC(C2C1C3C(C(CC2(CCl)O)O)C(=C)C(=O)O3)O

InChIKey: JNRJLCSYIQFLDS-DKLFCYGSSA-N

InChI: InChI=1S/C15H19ClO5/c1-6-3-8(17)12-10(6)13-11(7(2)14(19)21-13)9(18)4-15(12,20)5-16/h3,8-13,17-18,20H,2,4-5H2,1H3/t8-,9-,10+,11-,12-,13-,15+/m1/s1

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Eupalinilide C

Grade & Purity:

≥98%

Cas Number: 757202-11-2 Compound CID: 11417523

IUPAC Name: [(1R,2R,6R,7R,9R,12R,15S)-9-hydroxy-14-methyl-5-methylidene-4-oxo-3,11-dioxatetracyclo[7.5.1.02,6.012,15]pentadec-13-en-7-yl] (E)-4-hydroxy-2-methylbushow more

SMILES: CC1=CC2C3C1C4C(C(CC3(CO2)O)OC(=O)C(=CCO)C)C(=C)C(=O)O4

InChIKey: QWNQZWRFKIHTPL-NPUYJLKLSA-N

InChI: InChI=1S/C20H24O7/c1-9(4-5-21)18(22)26-13-7-20(24)8-25-12-6-10(2)14(16(12)20)17-15(13)11(3)19(23)27-17/h4,6,12-17,21,24H,3,5,7-8H2,1-2H3/b9-4+/t12-,13show more

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Eupalinolide B

Grade & Purity:

≥96%

Cas Number: 877822-41-8 Compound CID: 71463992

Formula: C₂₄H₃₀O₉ Molecular Weight: 462.5

IUPAC Name: [(3aR,4R,6Z,9S,10E,11aR)-9-acetyloxy-6-(acetyloxymethyl)-10-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-4-hydroxy-2show more

SMILES: CC1=CC2C(C(CC(=CCC1OC(=O)C)COC(=O)C)OC(=O)C(=CCO)C)C(=C)C(=O)O2

InChIKey: HPWMABTYJYZFLK-FHEQDPKSSA-N

InChI: InChI=1S/C24H30O9/c1-13(8-9-25)23(28)32-21-11-18(12-30-16(4)26)6-7-19(31-17(5)27)14(2)10-20-22(21)15(3)24(29)33-20/h6,8,10,19-22,25H,3,7,9,11-12H2,1-2show more

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Xanthatin

Grade & Purity:

≥98%

Cas Number: 26791-73-1 Compound CID: 5281511

Formula: C₁₅H₁₈O₃ Molecular Weight: 246.3

IUPAC Name: (3aR,7S,8aS)-7-methyl-3-methylidene-6-[(E)-3-oxobut-1-enyl]-4,7,8,8a-tetrahydro-3aH-cyclohepta[b]furan-2-one

SMILES: CC1CC2C(CC=C1C=CC(=O)C)C(=C)C(=O)O2

InChIKey: RBRPTFMVULVGIC-ZTIIIDENSA-N

InChI: InChI=1S/C15H18O3/c1-9-8-14-13(11(3)15(17)18-14)7-6-12(9)5-4-10(2)16/h4-6,9,13-14H,3,7-8H2,1-2H3/b5-4+/t9-,13+,14-/m0/s1

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Graniline

Grade & Purity:

≥98%

Cas Number: 40737-97-1 Compound CID: 442254

IUPAC Name: (3aR,4aS,6S,8R,8aR,9aR)-6,8-dihydroxy-8a-methyl-3,5-dimethylidene-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-one

SMILES: CC12CC3C(CC1C(=C)C(CC2O)O)C(=C)C(=O)O3

InChIKey: ZEIYNPAINVEWGP-NQHOMTGGSA-N

InChI: InChI=1S/C15H20O4/c1-7-9-4-10-8(2)11(16)5-13(17)15(10,3)6-12(9)19-14(7)18/h9-13,16-17H,1-2,4-6H2,3H3/t9-,10+,11+,12-,13-,15-/m1/s1

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Carabrone

Grade & Purity:

≥98%

Cas Number: 1748-81-8 Compound CID: 164879

Formula: C₁₅H₂₀O₃ Molecular Weight: 248.32

IUPAC Name: (3aR,4aS,5S,5aR,6aR)-5a-methyl-3-methylidene-5-(3-oxobutyl)-3a,4,4a,5,6,6a-hexahydrocyclopropa[f][1]benzofuran-2-one

SMILES: CC(=O)CCC1C2C1(CC3C(C2)C(=C)C(=O)O3)C

InChIKey: AGIQIKMGJVLKMA-NLRWUALESA-N

InChI: InChI=1S/C15H20O3/c1-8(16)4-5-11-12-6-10-9(2)14(17)18-13(10)7-15(11,12)3/h10-13H,2,4-7H2,1,3H3/t10-,11+,12+,13-,15-/m1/s1

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Bigelovin

Grade & Purity:

≥99%

Cas Number: 3668-14-2 Compound CID: 3080597

Formula: C₁₇H₂₀O₅ Molecular Weight: 304.34

SMILES: C[C@@H]1C[C@H]2[C@H]([C@@H]([C@]3([C@H]1C=CC3=O)C)OC(=O)C)C(=C)C(=O)O2

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Ergolide

Grade & Purity:

≥99%

Cas Number: 54999-07-4 Compound CID: 185786

Formula: C₁₇H₂₂O₅ Molecular Weight: 306.4

IUPAC Name: [(3aS,5R,5aS,8aR,9S,9aR)-5,8a-dimethyl-1-methylidene-2,8-dioxo-3a,4,5,5a,6,7,9,9a-octahydroazuleno[6,5-b]furan-9-yl] acetate

SMILES: CC1CC2C(C(C3(C1CCC3=O)C)OC(=O)C)C(=C)C(=O)O2

InChIKey: JCDZXDWMCKMXFF-MMLVVLEOSA-N

InChI: InChI=1S/C17H22O5/c1-8-7-12-14(9(2)16(20)22-12)15(21-10(3)18)17(4)11(8)5-6-13(17)19/h8,11-12,14-15H,2,5-7H2,1,3-4H3/t8-,11+,12+,14-,15+,17+/m1/s1

Synonyms: (3ar,4s,4ar,7as,8r,9as)-4a,8-dimethyl-3-methylidene-2,5-dioxododecahydroazuleno[6,5-b]furan-4-yl acetate | Q27137681 ...

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Bonducellpin D

Grade & Purity:

≥98%

Cas Number: 197781-85-4 Compound CID: 10835061

Formula: C₂₂H₂₈O₇ Molecular Weight: 404.45

IUPAC Name: [(1S,8S,11R,12S,13R,17S,18S,19R)-13,17-dihydroxy-14,14,18-trimethyl-9-oxo-4,10-dioxapentacyclo[9.7.1.03,7.08,19.013,18]nonadeca-3(7),5-dien-12-yl] aceshow more

SMILES: CC(=O)OC1C2C3C(CC4=C(C3C(=O)O2)C=CO4)C5(C1(C(CCC5O)(C)C)O)C

InChIKey: WIKUZWCBCFNRHH-ZCQRYNMDSA-N

InChI: InChI=1S/C22H28O7/c1-10(23)28-18-17-16-12(9-13-11(6-8-27-13)15(16)19(25)29-17)21(4)14(24)5-7-20(2,3)22(18,21)26/h6,8,12,14-18,24,26H,5,7,9H2,1-4H3/t12show more

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Sesquiterpene lactones

Description:

Ancestors: