chempirical

Alpha-boswellic acid

C30H48O3CAS 471-66-9456.71 g/mol

Open in Covalent MOL file
OHOHO
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

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

Weigh it out

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

β-Amyrin559-70-673 % similar Hederagenin465-99-671 % similar Echinocystic acid510-30-565 % similar Quillaic acid631-01-661 % similar (+)-Erythrodiol545-48-259 % similar Methyl oleanolate1724-17-059 % similar Soyasapogenol B595-15-359 % similar Maslinic acid4373-41-557 % 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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