Chem
J-GLOBAL ID：200907000107529667   Nikkaji number：J2.463.876F

3,4-Secours-4(23),20(30)-diene-3-oic acid

3,4-セコウルサ-4(23),20(30)-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/c1-19(2)22-12-16-30(8)24(28(22,6)15-13-25(31)32)10-9-23-26-21(4)20(3)11-14-27(26,5)17-18-29(23,30)7/h21-24,26H,1,3,9-18H2,2,4-8H3,(H,31,32)/t21-,22-,23+,24+,26-,27+,28-,29+,30+/m0/s1
InChI key： KAKDSTYYULDNHW-MHISZOMXSA-N
SMILES： C[C@@H]1[C@H]2[C@H]3CC[C@@H]4[C@@](C)(CCC(=O)O)[C@@H](CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)CCC1=C)C(=C)C
Systematic name  (3)：
  • 3,4-セコウルサ-4(23),20(30)-ジエン-3-酸
  • 3-[(1S,2S,4aR,4bR,6aR,10R,10aS,10bR,12aR)-1,4a,4b,6a,10-ペンタメチル-9-メチリデン-2-(プロパ-1-エン-2-イル)-オクタデカヒドロクリセン-1-イル]プロパン酸
  • 3-[(1S,2S,4aR,4bR,6aR,10R,10aS,10bR,12aR)-1,4a,4b,6a,10-pentamethyl-9-methylidene-2-(prop-1-en-2-yl)-octadecahydrochrysen-1-yl]propanoic acid
Other name (1)：
  • 3,4-Secours-4(23),20(30)-diene-3-oic acid
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