Chem
J-GLOBAL ID:200907002121687910   Nikkaji number:J440.112C

Kaurane-7β,11β,15α,16α,17-pentol

カウラン-7β,11β,15α,16α,17-ペンタオール
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: C20H34O5
Molecular formula furigana: C20-H34-O5
Molecular weight: 354.487
InChI: InChI=1S/C20H34O5/c1-17(2)5-4-6-18(3)13(17)8-14(23)19-9-11(7-12(22)15(18)19)20(25,10-21)16(19)24/h11-16,21-25H,4-10H2,1-3H3/t11-,12+,13-,14+,15+,16-,18-,19+,20+/m1/s1
InChI key: ZSXOGEUSODOQAQ-CVJRNXMOSA-N
SMILES: CC1(C)CCC[C@]2(C)[C@@H]1C[C@H](O)[C@@]13C[C@@H](C[C@H](O)[C@@H]21)[C@@](O)(CO)[C@@H]3O
Systematic name  (3):
  • カウラン-7β,11β,15α,16α,17-ペンタオール
  • (1R,2S,4R,9R,10S,11S,13S,14R,15R)-14-(ヒドロキシメチル)-5,5,9-トリメチルテトラシクロ[11.2.1.01,10.04,9]ヘキサデカン-2,11,14,15-テトラオール
  • (1R,2S,4R,9R,10S,11S,13S,14R,15R)-14-(hydroxymethyl)-5,5,9-trimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-2,11,14,15-tetrol
Other name (1):
  • Kaurane-7β,11β,15α,16α,17-pentol
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