chempirical

Schisandrin

C24H32O7CAS 7432-28-2432.51 g/mol

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AlcoholEther

Properties

Molecular formula
C24H32O7
Molar mass
432.51 g/mol
Exact mass
432.2148 Da
Melting point
128–129 °C
logP
3.89Crippen estimate
Polar surface area
75.6 Ų
H-bond donors / acceptors
1 / 7
Rotatable bonds
6

Identifiers

CAS number
7432-28-2
SMILES
COc1cc2c(c(OC)c1OC)-c1c(cc(OC)c(OC)c1OC)CC(C)(O)C(C)C2
InChIKey
YEFOAORQXAOVJQ-UHFFFAOYSA-N
InChI
InChI=1S/C24H32O7/c1-13-9-14-10-16(26-3)20(28-5)22(30-7)18(14)19-15(12-24(13,2)25)11-17(27-4)21(29-6)23(19)31-8/h10-11,13,25H,9,12H2,1-8H3

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

Names and synonyms

10 names
  • Dibenzo[a,c]cycloocten-6-ol, 5,6,7,8-tetrahydro-1,2,3,10,11,12-hexamethoxy-6,7-dimethyl-, (6S,7S,12aR)-
  • Schizandrin
  • (6S,7S,12aR)-5,6,7,8-Tetrahydro-1,2,3,10,11,12-hexamethoxy-6,7-dimethyldibenzo[a,c]cycloocten-6-ol
  • Schisandrine
  • Schizandrine
  • Wuweizichun A
  • Wuweizi alcohol A
  • (+)-Schizandrin
  • Schizandrol
  • Schisandrol A

Work with Schisandrin

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

Gomisin A58546-54-685 % similar Angeloylgomisin H66056-22-268 % similar Schisandrin B61281-37-648 % similar Gomisin N69176-52-948 % similar Schisantherin A58546-56-844 % similar Schisandrin C61301-33-542 % similar Schisantherin B58546-55-742 % similar Gomisin J66280-25-941 % similar

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

Elsewhere

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