Chem
J-GLOBAL ID：200907043161629414   Nikkaji number：J724.297B

(20Z)-4,4,8-Trimethyl-D(15),24-dinor-13,17-seco-5α-chola-13(18),20(22)-diene-1β,6α,23-triol

(20Z)-4,4,8-トリメチル-D(15),24-ジノル-13,17-セコ-5α-コラ-13(18),20(22)-ジエン-1β,6α,23-トリオール
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： C25H42O3
Molecular formula furigana： C25-H42-O3
Molecular weight： 390.608
InChI： InChI=1S/C25H42O3/c1-16(12-14-26)7-9-18-17(2)8-10-20-24(18,5)15-19(27)22-23(3,4)13-11-21(28)25(20,22)6/h12,18-22,26-28H,2,7-11,13-15H2,1,3-6H3/b16-12-/t18-,19+,20+,21-,22+,24+,25+/m1/s1
InChI key： XUMCBOHALFECLC-KXARRXHNSA-N
SMILES： C/C(=C/CO)/CC[C@@H]1C(=C)CC[C@H]2[C@@]1(C)C[C@H](O)[C@H]1C(C)(C)CC[C@@H](O)[C@]21C
Systematic name  (3)：
  • (20Z)-4,4,8-トリメチル-D(15),24-ジノル-13,17-セコ-5α-コラ-13(18),20(22)-ジエン-1β,6α,23-トリオール
  • (4R,4aR,4bS,8R,8aS,10S,10aS)-8-[(3Z)-5-ヒドロキシ-3-メチルペンタ-3-エン-1-イル]-1,1,4a,8a-テトラメチル-7-メチリデン-テトラデカヒドロフェナントレン-4,10-ジオール
  • (4R,4aR,4bS,8R,8aS,10S,10aS)-8-[(3Z)-5-hydroxy-3-methylpent-3-en-1-yl]-1,1,4a,8a-tetramethyl-7-methylidene-tetradecahydrophenanthrene-4,10-diol
Other name (1)：
  • (20Z)-4,4,8-Trimethyl-D(15),24-dinor-13,17-seco-5α-chola-13(18),20(22)-diene-1β,6α,23-triol
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