chempirical

Oleanonic acid

C30H46O3CAS 17990-42-0454.70 g/mol

Open in Covalent MOL file
OOOH
AlkeneCarboxylic acidKetone

Properties

Molecular formula
C30H46O3
Molar mass
454.70 g/mol
Exact mass
454.3447 Da
logP
7.44Crippen estimate
Polar surface area
54.4 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1
Stereocentres
R, R, R, R, S, S, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
17990-42-0
SMILES
C[C@]12CCC(=O)C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)C)(C)C
InChIKey
FMIMFCRXYXVFTA-FUAOEXFOSA-N
InChI
InChI=1S/C30H46O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-22H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,27-,28+,29+,30-/m0/s1

Weigh it out

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

Names and synonyms

1 names
  • 3-Oxo-olean-12-en-28-oic acid

Work with Oleanonic 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

Oleanolic acid508-02-172 % similar Hederagenin465-99-670 % similar Maslinic acid4373-41-567 % similar Arjunolic acid465-00-966 % similar Oleanolic acid acetate4339-72-466 % similar Alpha-Boswellic acid471-66-960 % similar Calenduloside E26020-14-459 % similar Methyl oleanolate1724-17-055 % similar

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

Same formula

Elemonic acid28282-25-9 (+)-Betulonic acid4481-62-3 Ursonic acid6246-46-4 Wilforlide A84104-71-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook