Stepholidine
Properties
- Molecular formula
- C19H21NO4
- Molar mass
- 327.38 g/mol
- Exact mass
- 327.1471 Da
- Melting point
- 161–162 °C
- logP
- 2.77Crippen estimate
- Polar surface area
- 62.2 Ų
- H-bond donors / acceptors
- 2 / 5
- Rotatable bonds
- 2
- Stereocentres
- Sin 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
16562-13-3SMILES
COc1cc2c(cc1O)[C@@H]1Cc3ccc(O)c(OC)c3CN1CC2InChIKey
JKPISQIIWUONPB-HNNXBMFYSA-NInChI
InChI=1S/C19H21NO4/c1-23-18-8-12-5-6-20-10-14-11(3-4-16(21)19(14)24-2)7-15(20)13(12)9-17(18)22/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3/t15-/m0/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
8 names
- 6H-Dibenzo[a,g]quinolizine-2,10-diol, 5,8,13,13a-tetrahydro-3,9-dimethoxy-, (13aS)-
- 13Aα-Berbine-2,10-diol, 3,9-dimethoxy-
- 6H-Dibenzo[a,g]quinolizine-2,10-diol, 5,8,13,13a-tetrahydro-3,9-dimethoxy-, (S)-
- (13aS)-5,8,13,13a-Tetrahydro-3,9-dimethoxy-6H-dibenzo[a,g]quinolizine-2,10-diol
- (-)-Stepholidine
- l-Stepholidine
- Stopholidine
- (13AS)-3,9-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,10-diol
Work with Stepholidine
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Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds