Acetyl-β-boswellic acid

C32H50O4CAS 5968-70-7498.75 g/mol

Open in Covalent MOL file
OOOOH
AlkeneCarboxylic acidEster

Properties

Molecular formula
C32H50O4
Molar mass
498.75 g/mol
Exact mass
498.3709 Da
Melting point
271 °C
logP
7.66Crippen estimate
Polar surface area
63.6 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2
Stereocentres
R, R, R, R, R, R, S, R, R, S, Rin 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
5968-70-7
SMILES
CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4[C@@H](C)[C@H](C)CC[C@]4(C)CC[C@]23C)[C@@]1(C)C(=O)O
InChIKey
YJBVHJIKNLBFDX-MQURJEHKSA-N
InChI
InChI=1S/C32H50O4/c1-19-11-14-28(4)17-18-30(6)22(26(28)20(19)2)9-10-23-29(5)15-13-25(36-21(3)33)32(8,27(34)35)24(29)12-16-31(23,30)7/h9,19-20,23-26H,10-18H2,1-8H3,(H,34,35)/t19-,20+,23-,24-,25-,26+,28-,29-,30-,31-,32-/m1/s1

Weigh it out

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

Names and synonyms

8 names
  • Urs-12-en-23-oic acid, 3-(acetyloxy)-, (3α,4β)-
  • Urs-12-en-24-oic acid, 3α-hydroxy-, acetate
  • (3α,4β)-3-(Acetyloxy)urs-12-en-23-oic acid
  • β-Boswellic acid acetate
  • 3α-Acetoxyurs-12-en-24-oic acid
  • 3-Acetyl-β-boswellic acid
  • 3α-Acetyl-β-boswellic acid
  • 3-O-Acetyl-β-boswellic acid

Work with Acetyl-β-boswellic 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

Acetyl-11-keto-beta-boswellic acid67416-61-980 % similar Beta-Boswellic acid631-69-677 % similar Amyrin638-95-961 % similar 11-Keto-β-boswellic acid17019-92-060 % similar Ursolic acid77-52-157 % similar Roburic acid6812-81-356 % similar Ursonic acid6246-46-454 % similar Alpha-Boswellic acid471-66-952 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Oleanolic acid acetate4339-72-4 O-Acetylursolic acid7372-30-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook