Chem
J-GLOBAL ID：200907011039973601   Nikkaji number：J1.253.383G

3-Oxotirucalla-7,24-diene-21-oic acid

3-オキソチルカラ-7,24-ジエン-21-酸
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/c1-19(2)9-8-10-20(26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h9,11,20-22,24H,8,10,12-18H2,1-7H3,(H,32,33)/t20-,21-,22-,24-,28+,29-,30+/m0/s1
InChI key： PYHNHGARAGBCRY-ZYHXIRFQSA-N
SMILES： CC(=CCC[C@@H]([C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C)C(=O)O)C
Systematic name  (3)：
  • 3-オキソチルカラ-7,24-ジエン-21-酸
  • (2S)-2-[(1S,3aS,5aR,9aR,9bR,11aS)-3a,6,6,9a,11a-ペンタメチル-7-オキソ-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-1-イル]-6-メチルヘプタ-5-エン酸
  • (2S)-2-[(1S,3aS,5aR,9aR,9bR,11aS)-3a,6,6,9a,11a-pentamethyl-7-oxo-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-6-methylhept-5-enoic acid
Other name (1)：
  • 3-Oxotirucalla-7,24-diene-21-oic acid
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