Chem
J-GLOBAL ID：201307088086329589   Nikkaji number：J3.200.765A

(5Z,7E,20S)-20-[(2S)-5α-(1-Hydroxy-1-methylethyl)tetrahydrofuran-2α-yl]-9,10-secopregna-5,7,10(19)-triene-1α,3β-diol

(5Z,7E,20S)-20-[(2S)-5α-(1-ヒドロキシ-1-メチルエチル)テトラヒドロフラン-2α-イル]-9,10-セコプレグナ-5,7,10(19)-トリエン-1α,3β-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： C28H44O4
Molecular formula furigana： C28-H44-O4
Molecular weight： 444.656
InChI： InChI=1S/C28H44O4/c1-17-20(15-21(29)16-24(17)30)9-8-19-7-6-14-28(5)22(10-11-23(19)28)18(2)25-12-13-26(32-25)27(3,4)31/h8-9,18,21-26,29-31H,1,6-7,10-16H2,2-5H3/b19-8+,20-9-/t18-,21+,22+,23-,24-,25-,26+,28+/m0/s1
InChI key： DDIWZQGTNVZJGO-XOJGNBOJSA-N
SMILES： C[C@H]([C@@H]1CC[C@@H](O1)C(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,20S)-20-[(2S)-5α-(1-ヒドロキシ-1-メチルエチル)テトラヒドロフラン-2α-イル]-9,10-セコプレグナ-5,7,10(19)-トリエン-1α,3β-ジオール
  • (1R,3S,5Z)-5-{2-[(1R,3aS,4E,7aR)-1-[(1S)-1-[(2S,5R)-5-(2-ヒドロキシプロパン-2-イル)オキソラン-2-イル]エチル]-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-[(1S)-1-[(2S,5R)-5-(2-hydroxypropan-2-yl)oxolan-2-yl]ethyl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexane-1,3-diol
Other name (1)：
  • (5Z,7E,20S)-20-[(2S)-5α-(1-Hydroxy-1-methylethyl)tetrahydrofuran-2α-yl]-9,10-secopregna-5,7,10(19)-triene-1α,3β-diol
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM