1-Epideacetylbowdensine
Basic information
- CAS
101219-55-0- Standard SMILES
COc1c2c(cc3c1OCO3)[C@@]13CCN(C2)[C@@H]1CC[C@H](O)[C@@H]3O- InChIKey
YDHBKYCFICHVSW-LPOXYFBYSA-N- Molecular formula
- C17H21NO5
- Average molar mass
- 319.4 g/mol
- Monoisotopic mass
- 319.14197277
Overview
1-Epideacetylbowdensine is a member of phenanthridines.
Names & identifiers
- Preferred name
- 1-Epideacetylbowdensine
- IUPAC
- (1S,13R,16S,17R)-9-methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9-triene-16,17-diol
- English name
- bulbisine Trifluoroacetic acid
- Molecular formula
- C17H21NO5
- Molecular weight
- 319.35234
Names & synonyms
1-EpideacetylbowdensineBulbisine101219-55-0(1S,13R,16S,17R)-9-methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9-triene-16,17-diol(1R,2S,4aR,5S,11bS)-2,3,4,4a-Tetrahydro-7-methoxy-1H,6H-5,11b-ethano[1,3]dioxolo[4,5-j]phenanthridine-1,2-diol(+)-Bulbisine1-EpidideacetylbowdensineDi-O-deacetyl-1-epibowdensineorb1990442CHEBI:31043DTXSID70143791(5xi)-7-Methoxycrinan-1beta,2beta-diol
Show more names
bulbisine Trifluoroacetic acid
1H,6H-5,11b-Ethano[1,3]dioxolo[4,5-j]phenanthridine-1,2-diol, 2,3,4,4a-tetrahydro-7-methoxy-, (1R,2S,4aR,5S,11bS)-F92733Crinan-1,2-diol, 7-methoxy-, (1beta,2beta)-Q27114095
Database identifiers
- CAS
101219-55-0- PubChem CID
- 443673
- DTXSID
DTXSID70143791- ChEBI
CHEBI:31043
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 71.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 490
Chemistry & industry
Additional notes
DefinitionChEBI: 1-Epideacetylbowdensine is a member of phenanthridines.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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