Chem
J-GLOBAL ID：200907021162523519   Nikkaji number：J17.688E

Macedonic acid

マセドン酸
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： C30H46O4
Molecular formula furigana： C30-H46-O4
Molecular weight： 470.694
InChI： InChI=1S/C30H46O4/c1-25(2)20-10-13-30(7)21(27(20,4)12-11-22(25)31)9-8-18-19-16-28(5,24(33)34)23(32)17-26(19,3)14-15-29(18,30)6/h8-9,20-23,31-32H,10-17H2,1-7H3,(H,33,34)/t20-,21+,22-,23+,26-,27-,28-,29+,30+/m0/s1
InChI key： QWQDOXKORDLUFG-JKBYBQJKSA-N
SMILES： CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C=CC2=C3C[C@@](C)([C@H](O)C[C@]3(C)CC[C@@]12C)C(=O)O
Systematic name  (3)：
  • 3β,21α-ジヒドロキシオレアナ-11,13(18)-ジエン-29-酸
  • (2S,3R,4aS,6aS,6bR,8aR,10S,12aS,12bR)-3,10-ジヒドロキシ-2,4a,6a,6b,9,9,12a-ヘプタメチル-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b-オクタデカヒドロピセン-2-カルボン酸
  • (2S,3R,4aS,6aS,6bR,8aR,10S,12aS,12bR)-3,10-dihydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b-octadecahydropicene-2-carboxylic acid
Other name (3)：
  • マセドン酸
  • Macedonic acid
  • 3β,21α-Dihydroxyoleana-11,13(18)-dien-29-oic acid
CAS registry number： 39022-00-9
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