Chem
J-GLOBAL ID：200907023801938817   Nikkaji number：J724.298K

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

(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23-アセタート
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： C27H44O4
Molecular formula furigana： C27-H44-O4
Molecular weight： 432.645
InChI： InChI=1S/C27H44O4/c1-17(13-15-31-19(3)28)8-10-20-18(2)9-11-22-26(20,6)16-21(29)24-25(4,5)14-12-23(30)27(22,24)7/h13,20-24,29-30H,2,8-12,14-16H2,1,3-7H3/b17-13-/t20-,21+,22+,23-,24+,26+,27+/m1/s1
InChI key： BCDDFICMWSJCHU-PQAHNHTDSA-N
SMILES： CC(=O)OC/C=C(/C)\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23-アセタート
  • (2Z)-5-[(1R,4aS,4bR,5R,8aS,9S,10aS)-5,9-ジヒドロキシ-4b,8,8,10a-テトラメチル-2-メチリデン-テトラデカヒドロフェナントレン-1-イル]-3-メチルペンタ-2-エン-1-イル アセタート
  • (2Z)-5-[(1R,4aS,4bR,5R,8aS,9S,10aS)-5,9-dihydroxy-4b,8,8,10a-tetramethyl-2-methylidene-tetradecahydrophenanthren-1-yl]-3-methylpent-2-en-1-yl acetate
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 23-acetate
Thsaurus map：
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