Chem
J-GLOBAL ID：200907001798236691   Nikkaji number：J1.023.938I

EB-1129

(1S,3R,5Z,7E,20S)-20-[(1E,3E)-5-エチル-5-ヒドロキシ-1,3-ヘプタジエニル]-9,10-セコプレグナ-5,7,10(19)-トリエン-1,3-ジオール
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： C30H46O3
Molecular formula furigana： C30-H46-O3
Molecular weight： 454.695
InChI： InChI=1S/C30H46O3/c1-6-30(33,7-2)18-9-8-11-21(3)26-15-16-27-23(12-10-17-29(26,27)5)13-14-24-19-25(31)20-28(32)22(24)4/h8-9,11,13-14,18,21,25-28,31-33H,4,6-7,10,12,15-17,19-20H2,1-3,5H3/b11-8+,18-9+,23-13+,24-14-/t21-,25+,26+,27-,28-,29+/m0/s1
InChI key： LVLLALCJVJNGQQ-PCYSJUIESA-N
SMILES： CCC(O)(CC)/C=C/C=C/[C@H](C)[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)：
  • (1S,3R,5Z,7E,20S)-20-[(1E,3E)-5-エチル-5-ヒドロキシ-1,3-ヘプタジエニル]-9,10-セコプレグナ-5,7,10(19)-トリエン-1,3-ジオール
  • (1R,3S,5Z)-5-{2-[(1R,3aS,4E,7aR)-1-[(2S,3E,5E)-7-エチル-7-ヒドロキシノナ-3,5-ジエン-2-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
  • (1R,3S,5Z)-5-{2-[(1R,3aS,4E,7aR)-1-[(2S,3E,5E)-7-ethyl-7-hydroxynona-3,5-dien-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexane-1,3-diol
Other name (2)：
  • (1S,3R,5Z,7E,20S)-20-[(1E,3E)-5-Ethyl-5-hydroxy-1,3-heptadienyl]-9,10-secopregna-5,7,10(19)-triene-1,3-diol
  • EB-1129
Thsaurus map：
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