Chem
J-GLOBAL ID:200907049291298302   Nikkaji number:J20.200B

Wallichianol

ワリキアノール
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: C30H52O2
Molecular formula furigana: C30-H52-O2
Molecular weight: 444.744
InChI: InChI=1S/C30H52O2/c1-19(18-31)20-10-13-27(4)16-17-29(6)21(25(20)27)8-9-23-28(5)14-12-24(32)26(2,3)22(28)11-15-30(23,29)7/h19-25,31-32H,8-18H2,1-7H3/t19-,20+,21-,22+,23-,24+,25-,27-,28+,29-,30-/m1/s1
InChI key: JUBUMMPZVPLSDN-ULVCUVGISA-N
SMILES: C[C@H](CO)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12
Systematic name  (3):
  • (20S)-ルパン-3β,29-ジオール
  • (1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-1-[(2S)-1-ヒドロキシプロパン-2-イル]-3a,5a,5b,8,8,11a-ヘキサメチル-イコサヒドロ-1H-シクロペンタ[a]クリセン-9-オール
  • (1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-1-[(2S)-1-hydroxypropan-2-yl]-3a,5a,5b,8,8,11a-hexamethyl-icosahydro-1H-cyclopenta[a]chrysen-9-ol
Other name (3):
  • ワリキアノール
  • Wallichianol
  • (20S)-Lupane-3β,29-diol
CAS registry number: 65556-58-3
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