Gomisin A
Properties
- Molecular formula
- C23H28O7
- Molar mass
- 416.47 g/mol
- Exact mass
- 416.1835 Da
- Melting point
- 80–85 °C
- logP
- 3.60Crippen estimate
- Polar surface area
- 75.6 Ų
- H-bond donors / acceptors
- 1 / 7
- Rotatable bonds
- 4
Identifiers
CAS number
58546-54-6SMILES
COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)CC(C)C(C)(O)C2InChIKey
ZWRRJEICIPUPHZ-UHFFFAOYSA-NInChI
InChI=1S/C23H28O7/c1-12-7-13-8-16-20(30-11-29-16)22(28-6)17(13)18-14(10-23(12,2)24)9-15(25-3)19(26-4)21(18)27-5/h8-9,12,24H,7,10-11H2,1-6H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
11 names
- Benzo[3,4]cycloocta[1,2-f][1,3]benzodioxol-6-ol, 5,6,7,8-tetrahydro-1,2,3,13-tetramethoxy-6,7-dimethyl-, (6S,7S,13aR)-
- Benzo[3,4]cycloocta[1,2-f][1,3]benzodioxol-6-ol, 5,6,7,8-tetrahydro-1,2,3,13-tetramethoxy-6,7-dimethyl-, stereoisomer
- (6S,7S,13aR)-5,6,7,8-Tetrahydro-1,2,3,13-tetramethoxy-6,7-dimethylbenzo[3,4]cycloocta[1,2-f][1,3]benzodioxol-6-ol
- Schisandrol B
- Schizandrol B
- Wuweizichun B
- Wuweizi alcohol B
- TJN 101
- (+)-Gomisin A
- Besigomsin
- Schisantherinol B
Work with Gomisin A
Similar compounds
Schisandrin7432-28-285 % similar
Schisandrin B61281-37-662 % similar
Gomisin N69176-52-962 % similar
Angeloylgomisin H66056-22-261 % similar
Schisandrin C61301-33-556 % similar
Schisantherin A58546-56-854 % similar
Schisantherin B58546-55-751 % similar
Benzoylgomisin O130783-32-343 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds