Chem
J-GLOBAL ID:200907008366680471
Nikkaji number:J2.509.278C
(24Z)-5α-Stigmasta-24(28)-ene-3β,5,6β-triol
(24Z)-5α-スチグマスタ-24(28)-エン-3β,5,6β-トリオール
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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:
C29 H50 O3
Molecular formula furigana:
C29-H50-O3
Molecular weight:
446.716
InChI:
InChI=1S/C29H50O3/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-22-16-26(31)29(32)17-21(30)12-15-28(29,6)25(22)13-14-27(23,24)5/h7,18-19,21-26,30-32H,8-17H2,1-6H3/b20-7-/t19-,21+,22+,23-,24+,25+,26-,27-,28-,29+/m1/s1
InChI key:
RYIULEUYHYPAMP-XHHMSFRSSA-N
SMILES:
C/C=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]3CC[C@]12C)\C(C)C
Systematic name (3):
(24Z)-5α-スチグマスタ-24(28)-エン-3β,5,6β-トリオール
(1R,3aS,3bS,5R,5aR,7S,9aR,9bS,11aR)-9a,11a-ジメチル-1-[(2R,5Z)-5-(プロパン-2-イル)ヘプタ-5-エン-2-イル]-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-トリオール
(1R,3aS,3bS,5R,5aR,7S,9aR,9bS,11aR)-9a,11a-dimethyl-1-[(2R,5Z)-5-(propan-2-yl)hept-5-en-2-yl]-hexadecahydro-1H-cyclopenta[a]phenanthrene-5,5a,7-triol
Other name (1):
(24Z)-5α-Stigmasta-24(28)-ene-3β,5,6β-triol
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