Chem
J-GLOBAL ID：200907045500276740   Nikkaji number：J2.463.875H

3,4-Secooleana-4(23),13(18)-diene-3-oic acid

3,4-セコオレアナ-4(23),13(18)-ジエン-3-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： C30H48O2
Molecular formula furigana： C30-H48-O2
Molecular weight： 440.712
InChI： InChI=1S/C30H48O2/c1-20(2)21-11-14-30(8)24(28(21,6)13-12-25(31)32)10-9-22-23-19-26(3,4)15-16-27(23,5)17-18-29(22,30)7/h21,24H,1,9-19H2,2-8H3,(H,31,32)/t21-,24+,27+,28-,29+,30+/m0/s1
InChI key： UPKROLOLJKAWPU-NFNMRRJISA-N
SMILES： CC(=C)[C@@H]1CC[C@]2(C)[C@H](CCC3=C4CC(C)(C)CC[C@]4(C)CC[C@@]23C)[C@@]1(C)CCC(=O)O
Systematic name  (3)：
  • 3,4-セコオレアナ-4(23),13(18)-ジエン-3-酸
  • 3-[(1S,2S,4aR,4bS,6aR,12aR)-1,4a,4b,6a,9,9-ヘキサメチル-2-(プロパ-1-エン-2-イル)-1,2,3,4,4a,4b,5,6,6a,7,8,9,10,11,12,12a-ヘキサデカヒドロクリセン-1-イル]プロパン酸
  • 3-[(1S,2S,4aR,4bS,6aR,12aR)-1,4a,4b,6a,9,9-hexamethyl-2-(prop-1-en-2-yl)-1,2,3,4,4a,4b,5,6,6a,7,8,9,10,11,12,12a-hexadecahydrochrysen-1-yl]propanoic acid
Other name (1)：
  • 3,4-Secooleana-4(23),13(18)-diene-3-oic acid
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