Amyrin

C₃₀H₅₀OCAS 638-95-9426.73 g/mol

Open in Covalent MOL file

Alcohol Alkene

Properties

Molecular formula: C₃₀H₅₀O
Molar mass: 426.73 g/mol
Exact mass: 426.3862 Da
Melting point: 186 °C
logP: 8.02Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0
Stereocentres: S, R, R, S, R, R, S, R, R, Rin SMILES atom order

Hazards

Warning

H302 Harmful if swallowed100% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number

638-95-9

SMILES

C[C@H]1[C@H](C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12

InChIKey

FSLPMRQHCOLESF-SFMCKYFRSA-N

InChI

InChI=1S/C30H50O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h9,19-20,22-25,31H,10-18H2,1-8H3/t19-,20+,22+,23-,24+,25+,27-,28+,29-,30-/m1/s1

Weigh it out

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

Names and synonyms

11 names

Urs-12-en-3-ol, (3β)-
Viminalol
Urs-12-en-3β-ol
(3β)-Urs-12-en-3-ol
α-Amyrenol
α-Amyrin
α-Amyrine
3β-Hydroxyurs-12-ene
α-Amirin
NSC 114787
Alpha-amyrin

Work with Amyrin

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

Beta-Boswellic acid631-69-674 % similar Ursolic acid77-52-174 % similar Acetyl-β-boswellic acid5968-70-761 % similar Roburic acid6812-81-358 % similar 11-Keto-β-boswellic acid17019-92-057 % similar (+)-Erythrodiol545-48-256 % similar Corosolic acid4547-24-455 % similar O-Acetylursolic acid7372-30-755 % similar

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

Same formula

Shionone10376-48-4 Taraxasterol1059-14-9 (+)-Euphol514-47-6 Lupeol545-47-1 Beta-amyrin559-70-6 Friedelin559-74-0 Lanosterol79-63-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia