Chem
J-GLOBAL ID：200907066392130072   Nikkaji number：J1.955.896G

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

(aS,7E)-2α-(3-ヒドロキシプロピル)-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： C29H50O4
Molecular formula furigana： C29-H50-O4
Molecular weight： 462.715
InChI： InChI=1S/C29H50O4/c1-20(8-5-15-28(2,3)33)24-13-14-25-22(9-6-16-29(24,25)4)12-11-21-18-26(31)23(10-7-17-30)27(32)19-21/h11-12,20,23-27,30-33H,5-10,13-19H2,1-4H3/b21-11-,22-12+/t20-,23?,24-,25+,26-,27-,29-/m1/s1
InChI key： OETBDAZRINTQAP-XKHMLIRASA-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(CCCO)[C@H](O)C3)/CCC[C@]12C
Systematic name  (1)：
  • (aS,7E)-2α-(3-ヒドロキシプロピル)-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)：
  • (aS,7E)-2α-(3-Hydroxypropyl)-19-nor-9,10-secocholesta-5,7-diene-1α,3β,25-triol
Thsaurus map：
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