Chem
J-GLOBAL ID：201407091124211951
Nikkaji number：J3.256.400C
(9Z,12Z)-9,12-Octadecadienoic acid 3,20-dioxopregna-4-ene-17α-yl ester
(9Z,12Z)-9,12-オクタデカジエン酸3,20-ジオキソプレグナ-4-エン-17α-イル
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Molecular formula： C39H60O4
Molecular formula furigana： C39-H60-O4
Molecular weight： 592.905
InChI：
InChI=1S/C39H60O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-36(42)43-39(30(2)40)28-25-35-33-22-21-31-29-32(41)23-26-37(31,3)34(33)24-27-38(35,39)4/h9-10,12-13,29,33-35H,5-8,11,14-28H2,1-4H3/b10-9-,13-12-/t33-,34+,35+,37+,38+,39+/m1/s1
InChI key：
FIPXRHPJKZRRAA-ZFHXPPGHSA-N
SMILES：
CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)C
Systematic name (3)：
- (9Z,12Z)-9,12-オクタデカジエン酸3,20-ジオキソプレグナ-4-エン-17α-イル
- (1R,3aS,3bR,9aR,9bS,11aS)-1-アセチル-9a,11a-ジメチル-7-オキソ-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-1-イル (9Z,12Z)-オクタデカ-9,12-ジエノアート
- (1R,3aS,3bR,9aR,9bS,11aS)-1-acetyl-9a,11a-dimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl (9Z,12Z)-octadeca-9,12-dienoate
- (9Z,12Z)-9,12-Octadecadienoic acid 3,20-dioxopregna-4-ene-17α-yl ester
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