Maslinic acid

C₃₀H₄₈O₄CAS 4373-41-5472.71 g/mol

Open in Covalent MOL file

Alcohol Alkene Carboxylic acid

Properties

Molecular formula: C₃₀H₄₈O₄
Molar mass: 472.71 g/mol
Exact mass: 472.3553 Da
Melting point: 255–258 °C
logP: 6.20Crippen estimate
Polar surface area: 77.8 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 1
Stereocentres: S, S, R, R, R, R, R, R, Sin SMILES atom order

Identifiers

CAS number

4373-41-5

SMILES

CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1

InChIKey

MDZKJHQSJHYOHJ-LLICELPBSA-N

InChI

InChI=1S/C30H48O4/c1-25(2)12-14-30(24(33)34)15-13-28(6)18(19(30)16-25)8-9-22-27(5)17-20(31)23(32)26(3,4)21(27)10-11-29(22,28)7/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20+,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

10 names

Olean-12-en-28-oic acid, 2,3-dihydroxy-, (2α,3β)-
Olean-12-en-28-oic acid, 2α,3β-dihydroxy-
(2α,3β)-2,3-Dihydroxyolean-12-en-28-oic acid
Crategolic acid
Crataegolic acid
2α-Hydroxyoleanolic acid
2α,3β-Dihydroxyolean-12-en-28-oic acid
Maslic acid
Masilinic acid
2α,3β-Dihydroxyloleanolic acid

Work with Maslinic 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

Arjunolic acid465-00-983 % similar Oleanolic acid508-02-176 % similar Euscaphic acid53155-25-268 % similar Oleanolic acid acetate4339-72-468 % similar Phytolaccagenin1802-12-663 % similar Calenduloside E26020-14-462 % similar Methyl oleanolate1724-17-059 % similar Asiatic acid464-92-658 % similar

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

Same formula

Alisol G155521-46-3 Corosolic acid4547-24-4 Hederagenin465-99-6 Echinocystic acid510-30-5

Elsewhere

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