Chem
J-GLOBAL ID：201407087107952266   Nikkaji number：J3.259.320H

3β-(Benzylcarbamoyloxy)oleana-12-ene-28-oic acid

3β-(ベンジルカルバモイルオキシ)オレアナ-12-エン-28-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： C38H55NO4
Molecular formula furigana： C38-H55-N-O4
Molecular weight： 589.861
InChI： InChI=1S/C38H55NO4/c1-33(2)19-21-38(31(40)41)22-20-36(6)26(27(38)23-33)13-14-29-35(5)17-16-30(34(3,4)28(35)15-18-37(29,36)7)43-32(42)39-24-25-11-9-8-10-12-25/h8-13,27-30H,14-24H2,1-7H3,(H,39,42)(H,40,41)/t27-,28-,29+,30-,35-,36+,37+,38-/m0/s1
InChI key： VAZSXECJKWZBKB-RDDJMYFXSA-N
SMILES： CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)NCc6ccccc6)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)O
Systematic name  (3)：
  • 3β-(ベンジルカルバモイルオキシ)オレアナ-12-エン-28-酸
  • (4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-[(ベンジルカルバモイル)オキシ]-2,2,6a,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,13,14b-イコサヒドロピセン-4a-カルボン酸
  • (4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-[(benzylcarbamoyl)oxy]-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid
Other name (1)：
  • 3β-(Benzylcarbamoyloxy)oleana-12-ene-28-oic acid
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