Ursonic acid

C₃₀H₄₆O₃CAS 6246-46-4454.70 g/mol

Open in Covalent MOL file

Alcohol Carboxylic Acid Ketone

Properties

Molecular formula: C₃₀H₄₆O₃
Molar mass: 454.70 g/mol
Exact mass: 454.3447 Da
Melting point: 284–285 °C
logP: 7.30Crippen estimate
Polar surface area: 54.4 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Identifiers

CAS number

6246-46-4

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)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12

InChIKey

MUCRYNWJQNHDJH-OADIDDRXSA-N

InChI

InChI=1S/C30H46O3/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/h8,18-19,21-22,24H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,24+,27+,28-,29-,30+/m1/s1

Weigh it out

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

Names and synonyms

3 names

Urs-12-en-28-oic acid, 3-oxo-
3-Oxours-12-en-28-oic acid
3-Ketoursolic acid

Work with Ursonic 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

Same formula

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

Elsewhere

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