Chem
J-GLOBAL ID:200907016274798983   Nikkaji number:J2.046.647B

Cholesta-5-ene-2β,3β-diol 3-acetate

コレスタ-5-エン-2β,3β-ジオール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: C29H48O3
Molecular formula furigana: C29-H48-O3
Molecular weight: 444.700
InChI: InChI=1S/C29H48O3/c1-18(2)8-7-9-19(3)23-12-13-24-22-11-10-21-16-27(32-20(4)30)26(31)17-29(21,6)25(22)14-15-28(23,24)5/h10,18-19,22-27,31H,7-9,11-17H2,1-6H3/t19-,22+,23-,24+,25+,26+,27-,28-,29+/m1/s1
InChI key: DXNYYXPIXXUABT-XSCPAZCWSA-N
SMILES: CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)C)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C
Systematic name  (3):
  • コレスタ-5-エン-2β,3β-ジオール3-アセタート
  • (1R,3aS,3bS,7R,8S,9aR,9bS,11aR)-8-ヒドロキシ-9a,11a-ジメチル-1-[(2R)-6-メチルヘプタン-2-イル]-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-7-イル アセタート
  • (1R,3aS,3bS,7R,8S,9aR,9bS,11aR)-8-hydroxy-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl acetate
Other name (1):
  • Cholesta-5-ene-2β,3β-diol 3-acetate
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