Chem
J-GLOBAL ID：200907080918454849   Nikkaji number：J866.450A

Sarcoaldesterol A

サルコアルデステロールA
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： C30H52O4
Molecular formula furigana： C30-H52-O4
Molecular weight： 476.742
InChI： InChI=1S/C30H52O4/c1-16(2)18(4)27(5)14-23(27)17(3)21-8-9-22-20-12-25(33)30(34)13-19(31)10-11-29(30,7)26(20)24(32)15-28(21,22)6/h16-26,31-34H,8-15H2,1-7H3/t17-,18+,19-,20-,21+,22-,23+,24+,25+,26+,27+,28+,29+,30-/m0/s1
InChI key： WIHVWOTVUSDCRF-LYBIKMEUSA-N
SMILES： CC(C)[C@@H](C)[C@@]1(C)C[C@@H]1[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3[C@H](O)C[C@]12C
Systematic name  (3)：
  • 5α-ゴルゴスタン-3β,5,6β,11α-テトラオール
  • (1R,3aS,3bS,5R,5aR,7S,9aR,9bS,10R,11aR)-9a,11a-ジメチル-1-[(1S)-1-[(1R,2R)-2-メチル-2-[(2R)-3-メチルブタン-2-イル]シクロプロピル]エチル]-ヘキサデカヒドロ-1H-シクロペンタ[a]フェナントレン-5,5a,7,10-テトラオール
  • (1R,3aS,3bS,5R,5aR,7S,9aR,9bS,10R,11aR)-9a,11a-dimethyl-1-[(1S)-1-[(1R,2R)-2-methyl-2-[(2R)-3-methylbutan-2-yl]cyclopropyl]ethyl]-hexadecahydro-1H-cyclopenta[a]phenanthrene-5,5a,7,10-tetrol
Other name (3)：
  • サルコアルデステロールA
  • Sarcoaldesterol A
  • 5α-Gorgostane-3β,5,6β,11α-tetraol
CAS registry number： 180313-84-2
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