chempirical

(+)-Betulonic acid

C30H46O3CAS 4481-62-3454.70 g/mol

Open in Covalent MOL file
OHOO
AlcoholCarboxylic AcidKetone

Properties

Molecular formula
C30H46O3
Molar mass
454.70 g/mol
Exact mass
454.3447 Da
Melting point
253 °C
logP
7.30Crippen estimate
Polar surface area
54.4 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Identifiers

CAS number
4481-62-3
SMILES
C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12
InChIKey
SLJTWDNVZKIDAU-SVAFSPIFSA-N
InChI
InChI=1S/C30H46O3/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/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1

Weigh it out

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

Names and synonyms

10 names
  • Lup-20(29)-en-28-oic acid, 3-oxo-
  • Lup-20(30)-en-28-oic acid, 3-oxo-
  • 3-Oxolup-20(29)-en-28-oic acid
  • Betulonic acid
  • Liquidambronic acid
  • Liquidambaric acid
  • 3-Oxobetulinic acid
  • MJ 347-RS
  • NSC 152534
  • Betunolic acid

Work with (+)-Betulonic 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

Same formula

Elemonic acid28282-25-9 Ursonic acid6246-46-4 Wilforlide A84104-71-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook