chempirical

Ganoderal A

C30H44O2CAS 104700-98-3436.68 g/mol

Open in Covalent MOL file
OO
AldehydeAlkeneKetone

Properties

Molecular formula
C30H44O2
Molar mass
436.68 g/mol
Exact mass
436.3341 Da
Melting point
127–128 °C
logP
7.64Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
5
Stereocentres
R, R, R, R, S, Rin 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
104700-98-3
SMILES
C/C(C=O)=CCC[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C
InChIKey
RHNFCIPJKSUUES-SPFFTVLFSA-N
InChI
InChI=1S/C30H44O2/c1-20(19-31)9-8-10-21(2)22-13-17-30(7)24-11-12-25-27(3,4)26(32)15-16-28(25,5)23(24)14-18-29(22,30)6/h9,11,14,19,21-22,25H,8,10,12-13,15-18H2,1-7H3/b20-9+/t21-,22-,25+,28-,29-,30+/m1/s1

Weigh it out

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

Names and synonyms

3 names
  • Lanosta-7,9(11),24-trien-26-al, 3-oxo-, (24E)-
  • (24E)-3-Oxolanosta-7,9(11),24-trien-26-al
  • (+)-Ganoderal A

Work with Ganoderal 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

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

Elsewhere

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