Oleanolic acid

C₃₀H₄₈O₃CAS 508-02-1456.71 g/mol

Open in Covalent MOL file

Alcohol Alkene Carboxylic acid

Properties

Molecular formula: C₃₀H₄₈O₃
Molar mass: 456.71 g/mol
Exact mass: 456.3603 Da
Melting point: 310 °C (decomposes)
logP: 7.23Crippen estimate
Polar surface area: 57.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1
Stereocentres: S, S, R, R, S, R, R, Sin SMILES atom order

Identifiers

CAS number

508-02-1

SMILES

CC1(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]2C1

InChIKey

MIJYXULNPSFWEK-GTOFXWBISA-N

InChI

InChI=1S/C30H48O3/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/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1

Weigh it out

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

Names and synonyms

13 names · show all

Olean-12-en-28-oic acid, 3-hydroxy-, (3β)-
Olean-12-en-28-oic acid, 3β-hydroxy-
(3β)-3-Hydroxyolean-12-en-28-oic acid
Caryophyllin
Oleanic acid
3β-Hydroxyolean-12-en-28-oic acid
Giganteumgenin C
Virgaureagenin B
Astrantiagenin C
(+)-Oleanolic acid
Gledigenin 1
NSC 114945
Oleonolic acid

Work with Oleanolic 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

Hederagenin465-99-682 % similar Methyl oleanolate1724-17-078 % similar Echinocystic acid510-30-577 % similar Maslinic acid4373-41-576 % similar β-Amyrin559-70-676 % similar Oleanolic acid acetate4339-72-474 % similar (+)-Erythrodiol545-48-271 % similar Calenduloside E26020-14-468 % 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 Testosterone undecylate5949-44-0 Beta-boswellic acid631-69-6 Ursolic acid77-52-1

Elsewhere

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