Chem
J-GLOBAL ID：200907096616396584   Nikkaji number：J638.811F

Penasterol

ペナステロール
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： C30H48O3
Molecular formula furigana： C30-H48-O3
Molecular weight： 456.711
InChI： InChI=1S/C30H48O3/c1-19(2)9-8-10-20(3)21-14-18-30(26(32)33)23-11-12-24-27(4,5)25(31)15-16-28(24,6)22(23)13-17-29(21,30)7/h9,20-21,24-25,31H,8,10-18H2,1-7H3,(H,32,33)/t20-,21-,24+,25+,28-,29-,30+/m1/s1
InChI key： HVQPUBROUXVNPN-GIICLEHTSA-N
SMILES： C[C@H](CCC=C(C)C)[C@H]1CC[C@@]2(C(=O)O)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3
Systematic name  (3)：
  • 3β-ヒドロキシラノスタ-8,24-ジエン-30-酸
  • (1R,3aS,5aR,7S,9aS,11aR)-7-ヒドロキシ-6,6,9a,11a-テトラメチル-1-[(2R)-6-メチルヘプタ-5-エン-2-イル]-1H,2H,3H,3aH,4H,5H,5aH,6H,7H,8H,9H,9aH,10H,11H,11aH-シクロペンタ[a]フェナントレン-3a-カルボン酸
  • (1R,3aS,5aR,7S,9aS,11aR)-7-hydroxy-6,6,9a,11a-tetramethyl-1-[(2R)-6-methylhept-5-en-2-yl]-1H,2H,3H,3aH,4H,5H,5aH,6H,7H,8H,9H,9aH,10H,11H,11aH-cyclopenta[a]phenanthrene-3a-carboxylic acid
Other name (3)：
  • ペナステロール
  • Penasterol
  • 3β-Hydroxylanosta-8,24-dien-30-oic acid
CAS registry number： 116424-94-3
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