Chem
J-GLOBAL ID：200907061670515124   Nikkaji number：J501.292I

18α-Carbenoxolone

18α-カルベノキソロン
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： C34H50O7
Molecular formula furigana： C34-H50-O7
Molecular weight： 570.767
InChI： InChI=1S/C34H50O7/c1-29(2)23-10-13-34(7)27(32(23,5)12-11-24(29)41-26(38)9-8-25(36)37)22(35)18-20-21-19-31(4,28(39)40)15-14-30(21,3)16-17-33(20,34)6/h18,21,23-24,27H,8-17,19H2,1-7H3,(H,36,37)(H,39,40)/t21-,23+,24+,27-,30-,31+,32+,33-,34-/m1/s1
InChI key： OBZHEBDUNPOCJG-LTMGWWHLSA-N
SMILES： CC1(C)[C@H](CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(=O)O)OC(=O)CCC(=O)O
Systematic name  (4)：
  • (18α)-3β-(3-カルボキシプロピオニルオキシ)-11-オキソオレアナ-12-エン-30-酸
  • (18α)-3β-[(3-カルボキシプロパノイル)オキシ]-11-オキソオレアナ-12-エン-30-酸
  • (2S,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bS)-10-[(3-カルボキシプロパノイル)オキシ]-2,4a,6a,6b,9,9,12a-ヘプタメチル-13-オキソ-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-イコサヒドロピセン-2-カルボン酸
  • (2S,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bS)-10-[(3-carboxypropanoyl)oxy]-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-2-carboxylic acid
Other name (4)：
  • (18α)-3β-[(3-Carboxypropanoyl)oxy]-11-oxoolean-12-en-30-oic acid
  • (18α)-3β-(3-Carboxypropionyloxy)-11-oxoolean-12-en-30-oic acid
  • 18α-カルベノキソロン
  • 18α-Carbenoxolone
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