Taraxasteryl acetate

C32H52O2CAS 6426-43-3468.77 g/mol

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AlkeneEster

Properties

Molecular formula
C32H52O2
Molar mass
468.77 g/mol
Exact mass
468.3967 Da
Melting point
251–252 °C
logP
8.60Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1
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.

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Identifiers

CAS number
6426-43-3
SMILES
C=C1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2[C@@H]1C
InChIKey
SFEUTIOWNUGQMZ-ZHLOSDGBSA-N
InChI
InChI=1S/C32H52O2/c1-20-12-15-29(6)18-19-31(8)23(27(29)21(20)2)10-11-25-30(7)16-14-26(34-22(3)33)28(4,5)24(30)13-17-32(25,31)9/h21,23-27H,1,10-19H2,2-9H3/t21-,23-,24+,25-,26+,27-,29-,30+,31-,32-/m1/s1

Weigh it out

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

Names and synonyms

10 names
  • Urs-20(30)-en-3-ol, 3-acetate, (3β,18α,19α)-
  • Urs-20(30)-en-3-ol, acetate, (3β,18α,19α)-
  • Taraxasterol acetate
  • Pyrethrol, acetate
  • Saussurol acetate
  • Isolactucerol acetate
  • NSC 401400
  • 3β-Acetoxy-20-methylenetaraxastane
  • 20-Methylenetaraxastan-3β-yl acetate
  • 20-Methylenetaraxastan-3β-ol acetate

Work with Taraxasteryl acetate

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

Taraxasterol1059-14-970 % similar Betulin diacetate1721-69-358 % similar Lupeol545-47-148 % similar Bevirimat174022-42-545 % similar Lupenone1617-70-545 % similar Betulinic acid472-15-142 % similar Betulinicaldehyde13159-28-941 % similar Betulin473-98-340 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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