Estrogens and derivatives

Description:

Steroids with a structure containing a 3-hydroxylated estrane.

Ancestors:

Organic compounds ⮕ Lipids and lipid-like molecules ⮕ Steroids and steroid derivatives ⮕ Estrane steroids ⮕ Estrogens and derivatives

4-Hydroxy-17β-estradiol
- ≥98%
Cas Number: 5976-61-4 Compound CID: 5282360

Formula: C18H24O3

IUPAC Name: (8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,4,17-triol

SMILES: CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4O)O

InChIKey: QOZFCKXEVSGWGS-ZHIYBZGJSA-N

InChI: InChI=1S/C18H24O3/c1-18-9-8-11-10-4-6-15(19)17(21)13(10)3-2-12(11)14(18)5-7-16(18)20/h4,6,11-12,14,16,19-21H,2-3,5,7-9H2,1H3/t11-,12-,14+,16+,18+/m1/sshow more
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(7a，17b)-7-(9-Bromononyl)estra-1，3，5(10)-triene-3，17-diol
- ≥98%
Cas Number: 875573-67-4 Compound CID: 71463695

Formula: C₂₇H₄₁BrO₂ Molecular Weight: 477.54

IUPAC Name: (7R,8R,9S,13S,14S,17S)-7-(9-bromononyl)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol

SMILES: CC12CCC3C(C1CCC2O)C(CC4=C3C=CC(=C4)O)CCCCCCCCCBr

InChIKey: ILWDBZWOZQESSY-NJGGNICLSA-N

InChI: InChI=1S/C27H41BrO2/c1-27-15-14-23-22-11-10-21(29)18-20(22)17-19(26(23)24(27)12-13-25(27)30)9-7-5-3-2-4-6-8-16-28/h10-11,18-19,23-26,29-30H,2-9,12-17Hshow more
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Estratetraenol
- ≥95%
Cas Number: 1150-90-9 Compound CID: 101988

Formula: C₁₈H₂₂O Molecular Weight: 254.37

IUPAC Name: (8S,9S,13R,14S)-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-3-ol

SMILES: CC12CCC3C(C1CC=C2)CCC4=C3C=CC(=C4)O

InChIKey: CRMOMCHYBNOFIV-BDXSIMOUSA-N

InChI: InChI=1S/C18H22O/c1-18-9-2-3-17(18)16-6-4-12-11-13(19)5-7-14(12)15(16)8-10-18/h2,5,7,9,11,15-17,19H,3-4,6,8,10H2,1H3/t15-,16-,17+,18+/m1/s1
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2-Methoxyestrone
- ≥98%
Cas Number: 362-08-3

Formula: C₁₉H₂₄O₃ Molecular Weight: 300.39

IUPAC Name: (8R,9S,13S,14S)-3-hydroxy-2-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one

SMILES: CC12CCC3C(C1CCC2=O)CCC4=CC(=C(C=C34)OC)O

InChIKey: WHEUWNKSCXYKBU-QPWUGHHJSA-N

InChI: InChI=1S/C19H24O3/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-16(20)17(22-2)10-14(11)12/h9-10,12-13,15,20H,3-8H2,1-2H3/t12-,13+,15-,19-/m0/s1
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Fluoroestradiol F-18
Cas Number: 94153-53-4

Formula: C₁₈H₂₃FO₂ Molecular Weight: 289.4

IUPAC Name: (8R,9S,13S,14S,16R,17R)-16-(18F)fluoranyl-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol

SMILES: CC12CCC3C(C1CC(C2O)F)CCC4=C3C=CC(=C4)O

InChIKey: KDLLNMRYZGUVMA-ZYMZXAKXSA-N

InChI: InChI=1S/C18H23FO2/c1-18-7-6-13-12-5-3-11(20)8-10(12)2-4-14(13)15(18)9-16(19)17(18)21/h3,5,8,13-17,20-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,17+,18+/m1/show more

Synonyms: Fluoroestradiol F-18 | Cerianna (TN) | 16alpha-(18F)Fluoro-17beta-estradiol | 16-.alpha.-[18F]-fluoro-17.beta. estrad...

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(3aS,3bR,5aS,9aS,9bR,11aS)-11a-methyl-hexadecahydro-1H-cyclopenta[a]phenanthrene-1,7-dione
Cas Number: 5696-58-2 Compound CID: 5288172

Formula: C₁₈H₂₆O₂ Molecular Weight: 274.4

IUPAC Name: (5S,8R,9R,10S,13S,14S)-13-methyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-3,17-dione

SMILES: O=C1C[C@@]2([H])[C@@](CC1)([H])[C@]3([H])[C@](CC2)([H])[C@@]4([H])[C@@](CC3)(C)C(=O)CC4

InChIKey: CRDKSBHJIGNEOH-IMRIKWHGSA-N

InChI: InChI=1S/C18H26O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h11,13-16H,2-10H2,1H3/t11-,13-,14+,15+,16-,18-/m0/s1

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N-n-Butyl-N-methyl-11-(3,17beta-dihydroxyestra-1,3,5(10)-trien-7alpha-yl)undecanamide
Cas Number: 98007-99-9 Compound CID: 104772

Formula: C₃₄H₅₅NO₃ Molecular Weight: 525.8

IUPAC Name: N-butyl-11-[(7R,8R,9S,13S,14S,17S)-3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-7-yl]-N-methylundecanamide

SMILES: CCCCN(C)C(=O)CCCCCCCCCCC1CC2=C(C=CC(=C2)O)C3C1C4CCC(C4(CC3)C)O

InChIKey: BVVFOLSZMQVDKV-KXQIQQEYSA-N

InChI: InChI=1S/C34H55NO3/c1-4-5-22-35(3)32(38)15-13-11-9-7-6-8-10-12-14-25-23-26-24-27(36)16-17-28(26)29-20-21-34(2)30(33(25)29)18-19-31(34)37/h16-17,24-25,show more

Synonyms: ICI-164384 | Ici 164384 | ICI 164,384 | ICI M164384 | N-n-Butyl-N-methyl-11-(3,17beta-dihydroxyestra-1,3,5(10)-trien-...

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Plomestane
Cas Number: 77016-85-4 Compound CID: 9904788

Formula: C₂₁H₂₆O₂ Molecular Weight: 310.4

IUPAC Name: (8R,9S,10S,13S,14S)-13-methyl-10-prop-2-ynyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione

SMILES: CC12CCC3C(C1CCC2=O)CCC4=CC(=O)CCC34CC#C

InChIKey: JKPDEYAOCSQBSZ-OEUJLIAZSA-N

InChI: InChI=1S/C21H26O2/c1-3-10-21-12-8-15(22)13-14(21)4-5-16-17-6-7-19(23)20(17,2)11-9-18(16)21/h1,13,16-18H,4-12H2,2H3/t16-,17-,18-,20-,21-/m0/s1

Synonyms: Plomestane | MDL-18962 | MDL 18,962 | FL3VS913TW | 10-(2-Propynyl)estr-4-ene-3,17-dione | Estr-4-ene-3,17-dione, 10-(...

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2-Iodoestradiol
Cas Number: 24381-12-2 Compound CID: 68574

Formula: C₁₈H₂₃IO₂ Molecular Weight: 398.3

IUPAC Name: (8R,9S,13S,14S,17S)-2-iodo-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol

SMILES: CC12CCC3C(C1CCC2O)CCC4=CC(=C(C=C34)I)O

InChIKey: JZYOQPBSKIOCIK-XSSYPUMDSA-N

InChI: InChI=1S/C18H23IO2/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-16(20)15(19)9-13(10)11/h8-9,11-12,14,17,20-21H,2-7H2,1H3/t11-,12+,14-,17-,18-/m0/s1

Synonyms: 2-Iodoestradiol | (8R,9S,13S,14S,17S)-2-iodo-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3...

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17-Deoxyestradiol
Cas Number: 53-63-4 Compound CID: 5888

Formula: C₁₈H₂₄O Molecular Weight: 256.399

IUPAC Name: (8S,9S,13S,14S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol

SMILES: CC12CCCC1C3CCC4=C(C3CC2)C=CC(=C4)O

InChIKey: HJKVPZJVBHWFCQ-BDXSIMOUSA-N

InChI: InChI=1S/C18H24O/c1-18-9-2-3-17(18)16-6-4-12-11-13(19)5-7-14(12)15(16)8-10-18/h5,7,11,15-17,19H,2-4,6,8-10H2,1H3/t15-,16-,17+,18+/m1/s1

Synonyms: 17-Deoxyestradiol | 17-Desoxyestradiol | 17-Deoxyestrone | Deoxoestrone | Estrone, 17-deoxy- | 3-Hydroxyestra-1,3,5(1...

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10β,17β-dihydroxyestra-1,4-dien-3-one
- ≥98%
Cas Number: 549-02-0 Compound CID: 11851170

Formula: C₁₈H₂₄O₃ Molecular Weight: 288.38

IUPAC Name: (8S,9S,10S,13S,14S,17S)-10,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one

SMILES: CC12CCC3C(C1CCC2O)CCC4=CC(=O)C=CC34O

InChIKey: UIKDFTLKOKNUJP-UGDFAFBOSA-N

InChI: InChI=1S/C18H24O3/c1-17-8-7-15-13(14(17)4-5-16(17)20)3-2-11-10-12(19)6-9-18(11,15)21/h6,9-10,13-16,20-21H,2-5,7-8H2,1H3/t13-,14-,15-,16-,17-,18+/m0/s1

Synonyms: UR9WW8CA3J | A-dihydroxyestra-1,4-dien-3-one | DTXSID501337122 | AKOS040732235 | HY-128976 | p-Estraquinol, 17beta-hy...
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Estrone-d2-1
Cas Number: 56588-58-0

Formula: C₁₈H₂₀D₂O₂ Molecular Weight: 272.38

IUPAC Name: (8R,9S,13S,14S)-16,16-dideuterio-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-one

SMILES: CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)O

InChIKey: DNXHEGUUPJUMQT-XIMAIENTSA-N

InChI: InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1/i7D2

Synonyms: Estrone-d2-1 | (8R,9S,13S,14S)-16,16-dideuterio-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenant...

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