Chem
J-GLOBAL ID：200907006351710940   Nikkaji number：J1.955.897E

(aR,7E)-2β-Allyl-19-nor-9,10-secocholesta-5,7-diene-1α,3β,25-triol

(aR,7E)-2β-アリル-19-ノル-9,10-セココレスタ-5,7-ジエン-1α,3β,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： C29H48O3
Molecular formula furigana： C29-H48-O3
Molecular weight： 444.700
InChI： InChI=1S/C29H48O3/c1-6-9-23-26(30)18-21(19-27(23)31)12-13-22-11-8-17-29(5)24(14-15-25(22)29)20(2)10-7-16-28(3,4)32/h6,12-13,20,23-27,30-32H,1,7-11,14-19H2,2-5H3/b21-12-,22-13+/t20-,23?,24-,25+,26-,27-,29-/m1/s1
InChI key： UQIIFDFTJLDGBM-MPSYIHSFSA-N
SMILES： C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2/C(=C/C=C\3/C[C@@H](O)C(CC=C)[C@H](O)C3)/CCC[C@]12C
Systematic name  (1)：
  • (aR,7E)-2β-アリル-19-ノル-9,10-セココレスタ-5,7-ジエン-1α,3β,25-トリオール
Other name (1)：
  • (aR,7E)-2β-Allyl-19-nor-9,10-secocholesta-5,7-diene-1α,3β,25-triol
Thsaurus map：
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