chempirical

11-Keto-β-boswellic acid

C30H46O4CAS 17019-92-0470.69 g/mol

Open in Covalent MOL file
OOHOHO
AlcoholAlkeneCarboxylic acidKetone

Properties

Molecular formula
C30H46O4
Molar mass
470.69 g/mol
Exact mass
470.3396 Da
Melting point
194–195 °C (decomposes)
logP
6.27Crippen estimate
Polar surface area
74.6 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
1
Stereocentres
S, R, R, S, R, S, R, R, R, R, Rin SMILES atom order

Identifiers

CAS number
17019-92-0
SMILES
C[C@H]1[C@H](C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@@H](O)[C@](C)(C(=O)O)[C@@H]5CC[C@]43C)[C@H]12
InChIKey
YIMHGPSYDOGBPI-YZCVQEKWSA-N
InChI
InChI=1S/C30H46O4/c1-17-8-11-26(3)14-15-28(5)19(23(26)18(17)2)16-20(31)24-27(4)12-10-22(32)30(7,25(33)34)21(27)9-13-29(24,28)6/h16-18,21-24,32H,8-15H2,1-7H3,(H,33,34)/t17-,18+,21-,22-,23+,24-,26-,27+,28-,29-,30-/m1/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names
  • Urs-12-en-23-oic acid, 3-hydroxy-11-oxo-, (3α,4β)-
  • Urs-12-en-24-oic acid, 3α-hydroxy-11-oxo-
  • (3α,4β)-3-Hydroxy-11-oxours-12-en-23-oic acid
  • 11-Oxo-β-boswellic acid
  • 11-Keto-β-Boswellic
  • KBA (keto boswellic acid)

Work with 11-Keto-β-boswellic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Beta-boswellic acid631-69-678 % similar Acetyl-11-keto-β-boswellic acid67416-61-977 % similar Acetyl-β-boswellic acid5968-70-760 % similar Amyrin638-95-957 % similar Alpha-boswellic acid471-66-956 % similar Ursolic acid77-52-154 % similar Roburic acid6812-81-347 % similar Carbenoxolone5697-56-345 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

18α-Glycyrrhetinic acid1449-05-4 Glycyrrhetinic acid471-53-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook