chempirical

Cytosporone B

C18H26O5CAS 321661-62-5322.40 g/mol

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Properties

Molecular formula
C18H26O5
Molar mass
322.40 g/mol
Exact mass
322.1780 Da
logP
3.75Crippen estimate
Polar surface area
83.8 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
10

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
321661-62-5
SMILES
CCCCCCCC(=O)C1=C(C=C(C=C1O)O)CC(=O)OCC
InChIKey
UVVWQQKSNZLUQA-UHFFFAOYSA-N
InChI
InChI=1S/C18H26O5/c1-3-5-6-7-8-9-15(20)18-13(11-17(22)23-4-2)10-14(19)12-16(18)21/h10,12,19,21H,3-9,11H2,1-2H3

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Names and synonyms

1 names
  • Csn-B

Work with Cytosporone B

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

Ethyl olivetolate38862-65-656 % similar Methyl olivetolate58016-28-747 % similar Olivetolic acid491-72-546 % similar Ethyl heptanoate106-30-946 % similar Ethyl octanoate106-32-146 % similar Ethyl dodecanoate106-33-246 % similar Ethyl decanoate110-38-346 % similar Ethyl stearate111-61-546 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook