chempirical

Ganoderenic acid E

C30H40O8CAS 110241-23-1528.64 g/mol

Open in Covalent MOL file
OOHOOOHOOOH
AlcoholAlkeneCarboxylic acidKetone

Properties

Molecular formula
C30H40O8
Molar mass
528.64 g/mol
Exact mass
528.2723 Da
logP
3.23Crippen estimate
Polar surface area
146.0 Ų
H-bond donors / acceptors
3 / 7
Rotatable bonds
5

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
110241-23-1
SMILES
CC(=CC(=O)CC(C)C(=O)O)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O
InChIKey
UFIFFDILGAASQL-UHFFFAOYSA-N
InChI
InChI=1S/C30H40O8/c1-14(10-16(31)11-15(2)26(37)38)17-12-21(34)30(7)22-18(32)13-19-27(3,4)20(33)8-9-28(19,5)23(22)24(35)25(36)29(17,30)6/h10,15,17-19,25,32,36H,8-9,11-13H2,1-7H3,(H,37,38)

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Names and synonyms

2 names
  • Lanosta-8,20(22)-dien-26-oic acid, 7,12-dihydroxy-3,11,15,23-tetraoxo-, (7β,12β,20E)-
  • 6-(7,12-Dihydroxy-4,4,10,13,14-pentamethyl-3,11,15-trioxo-1,2,5,6,7,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl)-2-methyl-4-oxohept-5-enoic acid

Work with Ganoderenic acid E

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 d100665-43-872 % similar Ganoderic acid D108340-60-951 % similar Ganoderic acid G98665-22-651 % similar Ganoderic acid81907-62-243 % similar Lucidenic acid A95311-94-741 % similar Ganoderic acid B81907-61-137 % similar Lucidenic acid D98665-16-834 % similar

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

Elsewhere

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