Chem
J-GLOBAL ID：200907015966202839   Nikkaji number：J1.582.778E

3-Oxo-5-[(4aS,4bR,8aR,10aS)-2,4b,8,8,10a-pentamethyl-3,4,4a,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-yl]pentanoic acid methyl ester

3-オキソ-5-[(4aS,4bR,8aR,10aS)-2,4b,8,8,10a-ペンタメチル-3,4,4a,4b,5,6,7,8,8a,9,10,10a-ドデカヒドロフェナントレン-1-イル]ペンタン酸メチル
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： C25H40O3
Molecular formula furigana： C25-H40-O3
Molecular weight： 388.592
InChI： InChI=1S/C25H40O3/c1-17-8-11-21-24(4,19(17)10-9-18(26)16-22(27)28-6)15-12-20-23(2,3)13-7-14-25(20,21)5/h20-21H,7-16H2,1-6H3/t20-,21-,24-,25-/m1/s1
InChI key： XQNBIIKONBDRFB-OVSMBABESA-N
SMILES： COC(=O)CC(=O)CCC1=C(C)CC[C@H]2[C@]3(C)CCCC(C)(C)[C@H]3CC[C@]12C
Systematic name  (3)：
  • 3-オキソ-5-[(4aS,4bR,8aR,10aS)-2,4b,8,8,10a-ペンタメチル-3,4,4a,4b,5,6,7,8,8a,9,10,10a-ドデカヒドロフェナントレン-1-イル]ペンタン酸メチル
  • メチル 5-[(4aS,4bR,8aR,10aS)-2,4b,8,8,10a-ペンタメチル-3,4,4a,4b,5,6,7,8,8a,9,10,10a-ドデカヒドロフェナントレン-1-イル]-3-オキソペンタノアート
  • methyl 5-[(4aS,4bR,8aR,10aS)-2,4b,8,8,10a-pentamethyl-3,4,4a,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthren-1-yl]-3-oxopentanoate
Other name (1)：
  • 3-Oxo-5-[(4aS,4bR,8aR,10aS)-2,4b,8,8,10a-pentamethyl-3,4,4a,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-yl]pentanoic acid methyl ester
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