Chem
J-GLOBAL ID：200907014601336830   Nikkaji number：J1.374.342H

Polasterol B

ポラステロール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： C30H50O3
Molecular formula furigana： C30-H50-O3
Molecular weight： 458.727
InChI： InChI=1S/C30H50O3/c1-17(2)20(18(3)4)9-8-19(5)22-10-11-23-21-14-26(31)25-15-27(32)28(33)16-30(25,7)24(21)12-13-29(22,23)6/h8-9,18-28,31-33H,1,10-16H2,2-7H3/b9-8-/t19-,20?,21+,22-,23+,24+,25?,26+,27+,28+,29-,30-/m1/s1
InChI key： NUYXLGWLOXEOIP-UJPIERSYSA-N
SMILES： CC(C)C(/C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)C4C[C@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C)C(=C)C
Systematic name  (3)：
  • (22Z)-24-イソプロピルコレスタ-22,25-ジエン-2β,3α,6α-トリオール
  • (1R,3aS,3bS,5S,7S,8S,9aR,9bS,11aR)-9a,11a-ジメチル-1-[(2R,3Z)-6-メチル-5-(プロパン-2-イル)ヘプタ-3,6-ジエン-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-5,7,8-トリオール
  • (1R,3aS,3bS,5S,7S,8S,9aR,9bS,11aR)-9a,11a-dimethyl-1-[(2R,3Z)-6-methyl-5-(propan-2-yl)hepta-3,6-dien-2-yl]-hexadecahydro-1H-cyclopenta[a]phenanthrene-5,7,8-triol
Other name (3)：
  • (22Z)-24-Isopropylcholesta-22,25-diene-2β,3α,6α-triol
  • ポラステロールB
  • Polasterol B
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