Chem
J-GLOBAL ID:200907005387790685   Nikkaji number:J1.639.590K

5α-Cholestane-3β,14,25-triol 3-acetate

5α-コレスタン-3β,14,25-トリオール3-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: C29H50O4
Molecular formula furigana: C29-H50-O4
Molecular weight: 462.715
InChI: InChI=1S/C29H50O4/c1-19(8-7-14-26(3,4)31)23-13-17-29(32)25-10-9-21-18-22(33-20(2)30)11-15-27(21,5)24(25)12-16-28(23,29)6/h19,21-25,31-32H,7-18H2,1-6H3/t19-,21+,22+,23-,24+,25-,27+,28-,29-/m1/s1
InChI key: SWCUASZRZVABGP-XOAXWNDYSA-N
SMILES: C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@]2(O)[C@@H]3CC[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)C
Systematic name  (3):
  • 5α-コレスタン-3β,14,25-トリオール3-アセタート
  • (1R,3aR,3bR,5aS,7S,9aS,9bS,11aR)-3a-ヒドロキシ-1-[(2R)-6-ヒドロキシ-6-メチルヘプタン-2-イル]-9a,11a-ジメチル-ヘキサデカヒドロ-1H-シクロペンタ[a]フェナントレン-7-イル アセタート
  • (1R,3aR,3bR,5aS,7S,9aS,9bS,11aR)-3a-hydroxy-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl acetate
Other name (1):
  • 5α-Cholestane-3β,14,25-triol 3-acetate
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