Chem
J-GLOBAL ID:200907050122373220   Nikkaji number:J2.418.575C

2-(Cinnamoyloxy)-3,5,14,20,22,24-hexahydroxycholesta-7-ene-6-one

2-(シンナモイルオキシ)-3,5,14,20,22,24-ヘキサヒドロキシコレスタ-7-エン-6-オン
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: C36H50O9
Molecular formula furigana: C36-H50-O9
Molecular weight: 626.787
InChI: InChI=1S/C36H50O9/c1-21(2)25(37)18-29(39)34(5,42)28-14-16-35(43)24-17-30(40)36(44)19-26(38)27(20-33(36,4)23(24)13-15-32(28,35)3)45-31(41)12-11-22-9-7-6-8-10-22/h6-12,17,21,23,25-29,37-39,42-44H,13-16,18-20H2,1-5H3/b12-11+/t23-,25?,26?,27?,28-,29?,32+,33+,34+,35+,36?/m0/s1
InChI key: PKJZKRZLTGYWSS-VUWYGYBKSA-N
SMILES: CC(C)C(O)CC(O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)C4(O)CC(O)C(C[C@]4(C)[C@H]3CC[C@]12C)OC(=O)/C=C/c1ccccc1
Systematic name  (3):
  • 2-(シンナモイルオキシ)-3,5,14,20,22,24-ヘキサヒドロキシコレスタ-7-エン-6-オン
  • (1S,3aS,9aR,9bR,11aR)-3a,5a,7-トリヒドロキシ-9a,11a-ジメチル-5-オキソ-1-[(2R)-2,3,5-トリヒドロキシ-6-メチルヘプタン-2-イル]-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-8-イル (2E)-3-フェニルプロパ-2-エノアート
  • (1S,3aS,9aR,9bR,11aR)-3a,5a,7-trihydroxy-9a,11a-dimethyl-5-oxo-1-[(2R)-2,3,5-trihydroxy-6-methylheptan-2-yl]-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-8-yl (2E)-3-phenylprop-2-enoate
Other name (1):
  • 2-(Cinnamoyloxy)-3,5,14,20,22,24-hexahydroxycholesta-7-ene-6-one
Thsaurus map:

Return to Previous Page