Ursonic acid

C30H46O3CAS 6246-46-4454.70 g/mol

Open in Covalent MOL file
OOHO
AlkeneCarboxylic acidKetone

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 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1
Stereocentres
S, R, S, S, R, R, R, R, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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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

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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

Similar compounds

Ursolic acid77-52-172 % similar Corosolic acid4547-24-467 % similar O-Acetylursolic acid7372-30-766 % similar Asiatic acid464-92-666 % similar Madecassic acid18449-41-760 % similar Beta-Boswellic acid631-69-658 % similar Acetyl-β-boswellic acid5968-70-754 % similar Amyrin638-95-951 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Oleanonic acid17990-42-0 Elemonic acid28282-25-9 (+)-Betulonic acid4481-62-3 Wilforlide A84104-71-2

Elsewhere

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