Chem
J-GLOBAL ID:200907042242420793   Nikkaji number:J682.216I

(24S)-5α-Stigmast-8(14)-ene-5,6β,7α-triol

(24S)-5α-スチグマスタ-8(14)-エン-5,6β,7α-トリオール
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: C29H50O3
Molecular formula furigana: C29-H50-O3
Molecular weight: 446.716
InChI: InChI=1S/C29H50O3/c1-7-20(18(2)3)11-10-19(4)21-12-13-22-24-23(14-17-27(21,22)5)28(6)15-8-9-16-29(28,32)26(31)25(24)30/h18-21,23,25-26,30-32H,7-17H2,1-6H3/t19-,20+,21-,23+,25+,26-,27-,28-,29+/m1/s1
InChI key: MMYXPNUDPQKPIZ-YPQPMDPVSA-N
SMILES: CC[C@@H](CC[C@@H](C)[C@H]1CCC2=C3[C@H](O)[C@@H](O)[C@@]4(O)CCCC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
Systematic name  (3):
  • (24S)-5α-スチグマスタ-8(14)-エン-5,6β,7α-トリオール
  • (1R,4S,5R,5aR,9aR,9bS,11aR)-1-[(2R,5S)-5-エチル-6-メチルヘプタン-2-イル]-9a,11a-ジメチル-1H,2H,3H,4H,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-4,5,5a-トリオール
  • (1R,4S,5R,5aR,9aR,9bS,11aR)-1-[(2R,5S)-5-ethyl-6-methylheptan-2-yl]-9a,11a-dimethyl-1H,2H,3H,4H,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-4,5,5a-triol
Other name (1):
  • (24S)-5α-Stigmast-8(14)-ene-5,6β,7α-triol
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