chempirical

Taraxasterol

C30H50OCAS 1059-14-9426.73 g/mol

Open in Covalent MOL file
OH
AlcoholAlkene

Properties

Molecular formula
C30H50O
Molar mass
426.73 g/mol
Exact mass
426.3862 Da
Melting point
221–222 °C
logP
8.02Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0
Stereocentres
R, R, R, R, R, S, 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. Search the SDS library

Identifiers

CAS number
1059-14-9
SMILES
C=C1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2[C@@H]1C
InChIKey
XWMMEBCFHUKHEX-ZJJHUPNDSA-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/h20-25,31H,1,9-18H2,2-8H3/t20-,21-,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

8 names
  • Urs-20(30)-en-3-ol, (3β,18α,19α)-
  • 18α,19βH-Urs-20(30)-en-3β-ol
  • (3β,18α,19α)-Urs-20(30)-en-3-ol
  • 4-Taraxasterol
  • Isolactucerol
  • Saussurol
  • α-Lactucerol
  • Lactucerol

Work with Taraxasterol

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

Taraxasteryl acetate6426-43-370 % similar Betulin473-98-355 % similar Betulinicaldehyde13159-28-954 % similar Betulinic acid472-15-153 % similar Lupenone1617-70-544 % similar 23-Hydroxybetulinic acid85999-40-242 % similar (20S)-Protopanaxadiol30636-90-941 % similar Panaxadiol19666-76-339 % similar

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

Same formula

Shionone10376-48-4 (+)-Euphol514-47-6 Lupeol545-47-1 Beta-amyrin559-70-6 Friedelin559-74-0 Amyrin638-95-9 Lanosterol79-63-0

Elsewhere

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