Alpha-Boswellic acid

C30H48O3CAS 471-66-9456.71 g/mol

Open in Covalent MOL file
OHOOH
AlcoholAlkeneCarboxylic acid

Properties

Molecular formula
C30H48O3
Molar mass
456.71 g/mol
Exact mass
456.3603 Da
Melting point
150–151 °C
logP
7.23Crippen estimate
Polar surface area
57.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1
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.

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Identifiers

CAS number
471-66-9
SMILES
CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@](C)(C(=O)O)[C@@H]5CC[C@]43C)[C@@H]2C1
InChIKey
BZXULBWGROURAF-IKNLXHIFSA-N
InChI
InChI=1S/C30H48O3/c1-25(2)14-15-26(3)16-17-28(5)19(20(26)18-25)8-9-21-27(4)12-11-23(31)30(7,24(32)33)22(27)10-13-29(21,28)6/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21+,22+,23+,26+,27+,28+,29+,30+/m0/s1

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

Names and synonyms

5 names
  • Olean-12-en-23-oic acid, 3-hydroxy-, (3α,4β)-
  • Olean-12-en-24-oic acid, 3α-hydroxy-
  • α-Boswellic acid
  • (3α,4β)-3-Hydroxyolean-12-en-23-oic acid
  • 3α-Acetyl-α-boswellic acid

Work with Alpha-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

Beta-amyrin559-70-673 % similar Hederagenin465-99-671 % similar Echinocystic acid510-30-565 % similar Quillaic acid631-01-661 % similar Oleanonic acid17990-42-060 % similar (+)-Erythrodiol545-48-259 % similar Methyl oleanolate1724-17-059 % similar Soyasapogenol B595-15-359 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Nandrolone laurate26490-31-3 Betulinic acid472-15-1 Oleanolic acid508-02-1 Testosterone undecylate5949-44-0 Beta-Boswellic acid631-69-6 Ursolic acid77-52-1

Elsewhere

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