Bevirimat

C36H56O6CAS 174022-42-5584.84 g/mol

Open in Covalent MOL file
OOHOOOHO
AlkeneCarboxylic acidEster

Properties

Molecular formula
C36H56O6
Molar mass
584.84 g/mol
Exact mass
584.4077 Da
logP
8.14Crippen estimate
Polar surface area
100.9 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
6
Stereocentres
R, S, R, R, R, R, S, 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
174022-42-5
SMILES
C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(C)(C)C(=O)O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12
InChIKey
YJEJKUQEXFSVCJ-WRFMNRASSA-N
InChI
InChI=1S/C36H56O6/c1-21(2)22-12-17-36(30(40)41)19-18-34(8)23(28(22)36)10-11-25-33(7)15-14-26(42-27(37)20-31(3,4)29(38)39)32(5,6)24(33)13-16-35(25,34)9/h22-26,28H,1,10-20H2,2-9H3,(H,38,39)(H,40,41)/t22-,23+,24-,25+,26-,28+,33-,34+,35+,36-/m0/s1

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

Names and synonyms

8 names
  • Lup-20(29)-en-28-oic acid, 3-(3-carboxy-3-methyl-1-oxobutoxy)-, (3β)-
  • (3β)-3-(3-Carboxy-3-methyl-1-oxobutoxy)lup-20(29)-en-28-oic acid
  • O-(3,3-Dimethylsuccinyl)betulinic acid
  • YK FH312
  • PA 457
  • 3-O-(3′,3′-Dimethylsuccinyl)betulinic acid
  • FH 11327
  • MP 4326

Work with Bevirimat

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

Betulinic acid472-15-170 % similar 23-Hydroxybetulinic acid85999-40-263 % similar (+)-Betulonic acid4481-62-362 % similar Betulin diacetate1721-69-357 % similar Lupeol545-47-153 % similar Anemoside A3129724-84-152 % similar Betulinicaldehyde13159-28-949 % similar Betulin473-98-348 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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