chempirical

Ganoderenic acid d

C30H40O7CAS 100665-43-8512.64 g/mol

Open in Covalent MOL file
OOHOOOOOH
AlcoholAlkeneCarboxylic acidKetone

Properties

Molecular formula
C30H40O7
Molar mass
512.64 g/mol
Exact mass
512.2774 Da
Melting point
218–220 °C
logP
4.26Crippen estimate
Polar surface area
125.8 Ų
H-bond donors / acceptors
2 / 6
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
100665-43-8
SMILES
CC(=CC(=O)CC(C)C(=O)O)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O
InChIKey
JGWQYLZHPPFHEH-UHFFFAOYSA-N
InChI
InChI=1S/C30H40O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h10,16,18-19,21,32H,8-9,11-14H2,1-7H3,(H,36,37)

Weigh it out

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

Names and synonyms

2 names
  • Lanosta-8,20(22)-dien-26-oic acid, 7-hydroxy-3,11,15,23-tetraoxo-, (7β,20E)-
  • (7β,20E)-7-Hydroxy-3,11,15,23-tetraoxolanosta-8,20(22)-dien-26-oic acid

Work with Ganoderenic acid d

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 E110241-23-172 % similar Lucidenic acid A95311-94-757 % similar Ganoderic acid81907-62-257 % similar Ganoderic acid B81907-61-151 % similar Ganoderic acid D108340-60-937 % similar Ganoderic acid G98665-22-637 % similar Lucidenic acid D98665-16-833 % similar Elemonic acid28282-25-931 % similar

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

Elsewhere

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