Chem
J-GLOBAL ID：200907093811668875   Nikkaji number：J866.451J

Sarcoaldesterol B

サルコアルデステロールB
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： C28H50O4
Molecular formula furigana： C28-H50-O4
Molecular weight： 450.704
InChI： InChI=1S/C28H50O4/c1-16(2)17(3)7-8-18(4)21-9-10-22-20-13-24(31)28(32)14-19(29)11-12-27(28,6)25(20)23(30)15-26(21,22)5/h16-25,29-32H,7-15H2,1-6H3/t17-,18+,19-,20-,21+,22-,23+,24+,25+,26+,27+,28-/m0/s1
InChI key： VIJCVYMDNFFBAQ-QVZDPOQSSA-N
SMILES： CC(C)[C@@H](C)CC[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-エルゴスタン-3β,5,6β,11α-テトラオール
  • (1R,3aS,3bS,5R,5aR,7S,9aR,9bS,10R,11aR)-1-[(2R,5S)-5,6-ジメチルヘプタン-2-イル]-9a,11a-ジメチル-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)-1-[(2R,5S)-5,6-dimethylheptan-2-yl]-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthrene-5,5a,7,10-tetrol
Other name (3)：
  • サルコアルデステロールB
  • Sarcoaldesterol B
  • 5α-Ergostane-3β,5,6β,11α-tetraol
CAS registry number： 180313-85-3
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