Chem
J-GLOBAL ID:200907043877998410   Nikkaji number:J11.885K

Betulic acid

ベツリン酸
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: C30H48O3
Molecular formula furigana: C30-H48-O3
Molecular weight: 456.711
InChI: InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1
InChI key: QGJZLNKBHJESQX-FZFNOLFKSA-N
SMILES: CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(=O)O
Systematic name  (6):
  • 3β-ヒドロキシルパ-20(29)-エン-28-酸
  • 3β-ヒドロキシルパン-20(29)-エン-28-酸
  • 3β-ヒドロキシルパ-20(30)-エン-28-酸
  • 3β-ヒドロキシ-20(29)-ルパエン-28-酸
  • (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-ヒドロキシ-5a,5b,8,8,11a-ペンタメチル-1-(プロパ-1-エン-2-イル)-イコサヒドロ-1H-シクロペンタ[a]クリセン-3a-カルボン酸
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Other name (14):
  • ベツリン酸
  • グラチオロン
  • Gratiolone
  • Betulic acid
  • Betulinic acid
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CAS registry number: 472-15-1
Regulation number (1):
  • EINECS2074488
KEGG COMPOUND: C08619
Application (4):
antitumor action ,  plant preparation ,  antiviral action ,  anti-inflammatoryaction
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