Chem
J-GLOBAL ID：200907058360296766   Nikkaji number：J16.703G

Bryonolic acid

ブリオノール酸
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： C30H48O3
Molecular formula furigana： C30-H48-O3
Molecular weight： 456.711
InChI： InChI=1S/C30H48O3/c1-25(2)21-9-8-20-19(28(21,5)12-11-23(25)31)10-13-30(7)22-18-27(4,24(32)33)15-14-26(22,3)16-17-29(20,30)6/h21-23,31H,8-18H2,1-7H3,(H,32,33)/t21-,22+,23-,26+,27+,28+,29+,30-/m0/s1
InChI key： BHVJSLPLFOAMEV-FPLINDMSSA-N
SMILES： CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CCC1=C2CC[C@@]2(C)[C@@H]3C[C@@](C)(CC[C@]3(C)CC[C@]12C)C(=O)O
Systematic name  (3)：
  • (20R)-3β-ヒドロキシ-D:C-フリードオレアナ-8-エン-29-酸
  • (2R,4aS,6aS,8aR,10S,12aS,14aS,14bR)-10-ヒドロキシ-2,4a,6a,9,9,12a,14a-ヘプタメチル-1,2,3,4,4a,5,6,6a,7,8,8a,9,10,11,12,12a,13,14,14a,14b-イコサヒドロピセン-2-カルボン酸
  • (2R,4aS,6aS,8aR,10S,12aS,14aS,14bR)-10-hydroxy-2,4a,6a,9,9,12a,14a-heptamethyl-1,2,3,4,4a,5,6,6a,7,8,8a,9,10,11,12,12a,13,14,14a,14b-icosahydropicene-2-carboxylic acid
Other name (3)：
  • ブリオノール酸
  • Bryonolic acid
  • (20R)-3β-Hydroxy-D:C-friedoolean-8-en-29-oic acid
CAS registry number： 24480-45-3
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