Gomisin N
Properties
- Molecular formula
- C23H28O6
- Molar mass
- 400.47 g/mol
- Exact mass
- 400.1886 Da
- Melting point
- 104–108 °C
- logP
- 4.49Crippen estimate
- Polar surface area
- 55.4 Ų
- H-bond donors / acceptors
- 0 / 6
- Rotatable bonds
- 4
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
69176-52-9SMILES
COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)CC(C)C(C)C2InChIKey
RTZKSTLPRTWFEV-UHFFFAOYSA-NInChI
InChI=1S/C23H28O6/c1-12-7-14-9-16(24-3)20(25-4)22(26-5)18(14)19-15(8-13(12)2)10-17-21(23(19)27-6)29-11-28-17/h9-10,12-13H,7-8,11H2,1-6H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
4 names
- Benzo[3,4]cycloocta[1,2-f][1,3]benzodioxole, 5,6,7,8-tetrahydro-1,2,3,13-tetramethoxy-6,7-dimethyl-, (6R,7S,13aS)-
- Benzo[3,4]cycloocta[1,2-f][1,3]benzodioxole, 5,6,7,8-tetrahydro-1,2,3,13-tetramethoxy-6,7-dimethyl-, stereoisomer
- (6R,7S,13aS)-5,6,7,8-Tetrahydro-1,2,3,13-tetramethoxy-6,7-dimethylbenzo[3,4]cycloocta[1,2-f][1,3]benzodioxole
- (-)-Gomisin N
Work with Gomisin N
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.
Similar compounds
Schisandrin C61301-33-591 % similar
Schisanhenol69363-14-067 % similar
Gomisin A58546-54-662 % similar
Benzoylgomisin O130783-32-359 % similar
Angeloylgomisin O83864-69-156 % similar
Gomisin J66280-25-955 % similar
Schisandrin7432-28-248 % similar
Schisantherin A58546-56-846 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds