Ursolic acid

C30H48O3CAS 77-52-1456.71 g/mol

Open in Covalent MOL file
OOHOH
AlcoholAlkeneCarboxylic acid

Properties

Molecular formula
C30H48O3
Molar mass
456.71 g/mol
Exact mass
456.3603 Da
Melting point
284 °C
logP
7.09Crippen estimate
Polar surface area
57.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1
Stereocentres
S, R, S, S, R, R, S, R, R, Sin SMILES atom order

Hazards

Not classified as hazardous under GHS by 93 ECHA notifiers. Aggregated from 93 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
77-52-1
SMILES
C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12
InChIKey
WCGUUGGRBIKTOS-GPOJBZKASA-N
InChI
InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1

Weigh it out

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

Names and synonyms

15 names · show all
  • Urs-12-en-28-oic acid, 3-hydroxy-, (3β)-
  • Urs-12-en-28-oic acid, 3β-hydroxy-
  • (3β)-3-Hydroxyurs-12-en-28-oic acid
  • Malol
  • Prunol
  • Urson
  • β-Ursolic acid
  • Bungeolic acid
  • (+)-Ursolic acid
  • 3β-Hydroxyurs-12-en-28-oic acid
  • Merotaine
  • NSC 167406
  • NSC 4060
  • Ursolisome
  • Neoage UR

Work with Ursolic 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

Corosolic acid4547-24-476 % similar O-Acetylursolic acid7372-30-775 % similar Amyrin638-95-974 % similar Ursonic acid6246-46-472 % similar Asiatic acid464-92-668 % similar Madecassic acid18449-41-762 % similar Acetyl-β-boswellic acid5968-70-757 % similar Echinocystic acid510-30-556 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Nandrolone laurate26490-31-3 Alpha-Boswellic acid471-66-9 Betulinic acid472-15-1 Oleanolic acid508-02-1 Testosterone undecylate5949-44-0 Beta-Boswellic acid631-69-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia