(+)-Betulonic acid
Properties
- Molecular formula
- C30H46O3
- Molar mass
- 454.70 g/mol
- Exact mass
- 454.3447 Da
- Melting point
- 253 °C
- logP
- 7.30Crippen estimate
- Polar surface area
- 54.4 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 2
- Stereocentres
- R, S, R, R, R, R, R, R, Rin SMILES atom order
Hazards
No GHS classification is on file for this compound. That is not evidence that it is harmless.
Identifiers
CAS number
4481-62-3SMILES
C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12InChIKey
SLJTWDNVZKIDAU-SVAFSPIFSA-NInChI
InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
10 names
- Lup-20(29)-en-28-oic acid, 3-oxo-
- Lup-20(30)-en-28-oic acid, 3-oxo-
- 3-Oxolup-20(29)-en-28-oic acid
- Betulonic acid
- Liquidambronic acid
- Liquidambaric acid
- 3-Oxobetulinic acid
- MJ 347-RS
- NSC 152534
- Betunolic acid
Work with (+)-Betulonic acid
Similar compounds
Lupenone1617-70-576 % similar
Betulinic acid472-15-171 % similar
23-Hydroxybetulinic acid85999-40-270 % similar
Bevirimat174022-42-562 % similar
Lupeol545-47-151 % similar
Anemoside A3129724-84-151 % similar
Betulinicaldehyde13159-28-947 % similar
Betulin473-98-347 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.