Chem
J-GLOBAL ID:200907091812867909
Nikkaji number:J152.451H
(20S)-3β,12β-Dihydroxy-4,4,14-trimethyl-5α-pregna-7,9(11)-diene-20-carboxylic acid
(20S)-3β,12β-ジヒドロキシ-4,4,14-トリメチル-5α-プレグナ-7,9(11)-ジエン-20-カルボン酸
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Substance type:
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
Molecular formula:
C25 H38 O4
Molecular formula furigana:
C25-H38-O4
Molecular weight:
402.575
InChI:
InChI=1S/C25H38O4/c1-14(21(28)29)15-9-12-24(5)16-7-8-18-22(2,3)19(26)10-11-23(18,4)17(16)13-20(27)25(15,24)6/h7,13-15,18-20,26-27H,8-12H2,1-6H3,(H,28,29)/t14-,15+,18-,19-,20+,23+,24-,25-/m0/s1
InChI key:
BRPIABZRYYNFFV-MUNARKKMSA-N
SMILES:
C[C@@H]([C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=C[C@@H](O)[C@]12C)C(=O)O
Systematic name (4):
(20S)-3β,12β-ジヒドロキシ-4,4,14-トリメチル-5α-プレグナ-7,9(11)-ジエン-20-カルボン酸
(20S)-3β,12β-ジヒドロキシ-4,4,14α-トリメチル-5α-プレグナ-7,9(11)-ジエン-20-カルボン酸
(2S)-2-[(1R,3aS,5aR,7S,9aS,11R,11aR)-7,11-ジヒドロキシ-3a,6,6,9a,11a-ペンタメチル-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,11H,11aH-シクロペンタ[a]フェナントレン-1-イル]プロパン酸
(2S)-2-[(1R,3aS,5aR,7S,9aS,11R,11aR)-7,11-dihydroxy-3a,6,6,9a,11a-pentamethyl-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,11H,11aH-cyclopenta[a]phenanthren-1-yl]propanoic acid
Other name (2):
(20S)-3β,12β-Dihydroxy-4,4,14-trimethyl-5α-pregna-7,9(11)-diene-20-carboxylic acid
(20S)-3β,12β-Dihydroxy-4,4,14α-trimethyl-5α-pregna-7,9(11)-diene-20-carboxylic acid
CAS registry number:
91998-45-7
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