Chem
J-GLOBAL ID：200907030313489724   Nikkaji number：J1.374.340A

Polasterol A

ポラステロールA
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： C30H48O2
Molecular formula furigana： C30-H48-O2
Molecular weight： 440.712
InChI： InChI=1S/C30H48O2/c1-18(2)23(19(3)4)9-8-20(5)24-10-11-25-28-26(13-15-30(24,25)7)29(6)14-12-22(31)16-21(29)17-27(28)32/h8-9,17-20,22-26,28,31H,10-16H2,1-7H3/t20-,22+,24-,25+,26+,28+,29+,30-/m1/s1
InChI key： RZWRLBVGWQAKNS-JYUXLHNSSA-N
SMILES： CC(C)C(C=C[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@H](O)CC1=CC3=O)C(C)C
Systematic name  (3)：
  • 3β-ヒドロキシ-24-イソプロピルコレスタ-5,22-ジエン-7-オン
  • (1R,3aS,3bS,7S,9aR,9bS,11aR)-7-ヒドロキシ-9a,11a-ジメチル-1-[(2R)-6-メチル-5-(プロパン-2-イル)ヘプタ-3-エン-2-イル]-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-4-オン
  • (1R,3aS,3bS,7S,9aR,9bS,11aR)-7-hydroxy-9a,11a-dimethyl-1-[(2R)-6-methyl-5-(propan-2-yl)hept-3-en-2-yl]-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-4-one
Other name (3)：
  • 3β-Hydroxy-24-isopropylcholesta-5,22-diene-7-one
  • ポラステロールA
  • Polasterol A
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