chempirical

Lucidenic acid A

C27H38O6CAS 95311-94-7458.60 g/mol

Open in Covalent MOL file
OHOOOOOH
AlcoholAlkeneCarboxylic acidKetone

Properties

Molecular formula
C27H38O6
Molar mass
458.60 g/mol
Exact mass
458.2668 Da
logP
4.13Crippen estimate
Polar surface area
108.7 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
4
Stereocentres
R, R, R, R, S, R, Sin 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
95311-94-7
SMILES
C[C@H](CCC(=O)O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O
InChIKey
INIPQDKLXQHEAJ-NCQSLMINSA-N
InChI
InChI=1S/C27H38O6/c1-14(7-8-21(32)33)15-11-20(31)27(6)23-16(28)12-18-24(2,3)19(30)9-10-25(18,4)22(23)17(29)13-26(15,27)5/h14-16,18,28H,7-13H2,1-6H3,(H,32,33)/t14-,15-,16+,18+,25+,26-,27+/m1/s1

Weigh it out

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

Names and synonyms

5 names
  • Chol-8-en-24-oic acid, 7-hydroxy-4,4,14-trimethyl-3,11,15-trioxo-, (5α,7β)-
  • (5α,7β)-7-Hydroxy-4,4,14-trimethyl-3,11,15-trioxochol-8-en-24-oic acid
  • (+)-Lucidenic acid A
  • Lucidenic acid α
  • Lucideric acid A

Work with Lucidenic acid A

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

Ganoderenic acid d100665-43-857 % similar Ganoderic acid B81907-61-156 % similar Ganoderic acid81907-62-255 % similar Lucidenic acid D98665-16-853 % similar Ganoderenic acid E110241-23-141 % similar Ganoderic acid D108340-60-937 % similar Ganoderic acid G98665-22-637 % similar Hyodeoxycholic acid83-49-836 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook