Chem
J-GLOBAL ID：200907001603687830   Nikkaji number：J1.546.490I

Ro-27-5840

(5Z,7E)-21-(3-ヒドロキシ-3-メチルブチル)-9,10-セココレスタ-5,7,10(19)-トリエン-1α,3α,25-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： C32H54O4
Molecular formula furigana： C32-H54-O4
Molecular weight： 502.780
InChI： InChI=1S/C32H54O4/c1-22-25(20-26(33)21-29(22)34)14-13-24-12-9-19-32(6)27(15-16-28(24)32)23(10-7-17-30(2,3)35)11-8-18-31(4,5)36/h13-14,23,26-29,33-36H,1,7-12,15-21H2,2-6H3/b24-13+,25-14-/t26-,27+,28-,29-,32+/m0/s1
InChI key： WTQXZYVWLNPNEX-OTDZCUOKSA-N
SMILES： CC(C)(O)CCCC(CCCC(C)(C)O)[C@H]1CC[C@H]2/C(=C/C=C\3/C[C@H](O)C[C@H](O)C3=C)/CCC[C@]12C
Systematic name  (3)：
  • (5Z,7E)-21-(3-ヒドロキシ-3-メチルブチル)-9,10-セココレスタ-5,7,10(19)-トリエン-1α,3α,25-トリオール
  • (1S,3S,5Z)-5-{2-[(1R,3aS,4E,7aR)-1-(2,10-ジヒドロキシ-2,10-ジメチルウンデカン-6-イル)-7a-メチル-オクタヒドロ-1H-インデン-4-イリデン]エチリデン}-4-メチリデンシクロヘキサン-1,3-ジオール
  • (1S,3S,5Z)-5-{2-[(1R,3aS,4E,7aR)-1-(2,10-dihydroxy-2,10-dimethylundecan-6-yl)-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexane-1,3-diol
Other name (2)：
  • (5Z,7E)-21-(3-Hydroxy-3-methylbutyl)-9,10-secocholesta-5,7,10(19)-triene-1α,3α,25-triol
  • Ro-27-5840
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