Oleanolic acid acetate
Properties
- Molecular formula
- C32H50O4
- Molar mass
- 498.75 g/mol
- Exact mass
- 498.3709 Da
- Melting point
- 264–265 °C
- logP
- 7.80Crippen estimate
- Polar surface area
- 63.6 Ų
- H-bond donors / acceptors
- 1 / 3
- Rotatable bonds
- 2
- Stereocentres
- S, R, R, S, S, S, R, Rin SMILES atom order
Identifiers
CAS number
4339-72-4SMILES
CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC=C4[C@@H]5CC(C)(C)CC[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)CInChIKey
RIXNFYQZWDGQAE-DFHVBEEKSA-NInChI
InChI=1S/C32H50O4/c1-20(33)36-25-12-13-29(6)23(28(25,4)5)11-14-31(8)24(29)10-9-21-22-19-27(2,3)15-17-32(22,26(34)35)18-16-30(21,31)7/h9,22-25H,10-19H2,1-8H3,(H,34,35)/t22-,23-,24+,25-,29-,30+,31+,32-/m0/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
16 names · show all
- Olean-12-en-28-oic acid, 3-(acetyloxy)-, (3β)-
- Olean-12-en-28-oic acid, 3β-hydroxy-, acetate
- Oleanolic acid, acetyl-
- (3β)-3-(Acetyloxy)olean-12-en-28-oic acid
- Acetyloleanolic acid
- O-Acetyloleanolic acid
- 3-O-Acetyloleanolic acid
- 3β-Acetyloleanolic acid
- Oleanolic acetate
- 3-Acetyloleanolic acid
- 3β-Acetoxyolean-12-en-28-oic acid
- 3-Acetoxyoleanolic acid
- Oleanolic acid 3-O-acetate
- Oleanolic acid 3β-acetate
- 3β-Acetoxyolean-12-en-28-acid
- Oleanolic acid 3-acetate
Work with Oleanolic acid acetate
Similar compounds
Oleanolic acid508-02-174 % similar
Calenduloside E26020-14-471 % similar
Maslinic acid4373-41-568 % similar
Hederagenin465-99-665 % similar
Methyl oleanolate1724-17-060 % similar
Arjunolic acid465-00-960 % similar
Hederacolchiside A1106577-39-359 % similar
Echinocystic acid510-30-558 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds