Ganoderic acid D

C₃₀H₄₄O₈CAS 108340-60-9532.67 g/mol

Open in Covalent MOL file

Alcohol Alkene Carboxylic acid Ketone

Properties

Molecular formula: C₃₀H₄₄O₈
Molar mass: 532.67 g/mol
Exact mass: 532.3036 Da
Melting point: 218–220 °C
logP: 3.10Crippen estimate
Polar surface area: 149.2 Å²
H-bond donors / acceptors: 4 / 7
Rotatable bonds: 6

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

108340-60-9

SMILES

CC(CC(=O)CC(C)C(=O)O)C1CC(=O)C2(C1(C(C(=O)C3=C2C(CC4C3(CCC(C4(C)C)O)C)O)O)C)C

InChIKey

BPJPBLZKOVIJQD-UHFFFAOYSA-N

InChI

InChI=1S/C30H44O8/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/h14-15,17-20,25,32-33,36H,8-13H2,1-7H3,(H,37,38)

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Work with Ganoderic 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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Ganoderic acid G98665-22-6

Similar compounds

Ganoderic acid B81907-61-171 % similar Ganoderenic acid E110241-23-151 % similar Ganoderic acid81907-62-248 % similar Lucidenic acid A95311-94-737 % similar Ganoderenic acid d100665-43-837 % similar Lucidenic acid D98665-16-832 % similar

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

Elsewhere

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