dihydroflustramine C
Basic information
- CAS
93930-02-0- Standard SMILES
C=CC(C)(C)[C@@]12CCN(C)[C@@H]1Nc1cc(Br)ccc12- InChIKey
ZDNNGMSLBLTTQH-GOEBONIOSA-N- Molecular formula
- C16H21BrN2
- Average molar mass
- 321.25 g/mol
- Monoisotopic mass
- 320.08881
Overview
dihydroflustramine C has been reported in Flustra foliacea with data available.
Names & identifiers
- Preferred name
- dihydroflustramine C
- IUPAC
- (3aS,8bR)-6-bromo-3-methyl-8b-(2-methylbut-3-en-2-yl)-1,2,3a,4-tetrahydropyrrolo[2,3-b]indole
Names & synonyms
dihydroflustramine C93930-02-0CHEMBL501483DTXSID309170316-Bromo-1-methyl-3a-(2-methylbut-3-en-2-yl)-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indole(3aR,8aS)-6-Bromo-1-methyl-3a-(2-methylbut-3-en-2-yl)-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indole(3aS,8bR)-6-Bromo-3-methyl-8b-(2-methylbut-3-en-2-yl)-1,2,3a,4-tetrahydropyrrolo(2,3-b)indole.InChI=1/C16H21BrN2/c1-5-15(2,3)16-8-9-19(4)14(16)18-13-10-11(17)6-7-12(13)16/h5-7,10,14,18H,1,8-9H2,2-4H3/t14-,16+/m0/s
Database identifiers
- CAS
93930-02-0- PubChem CID
- 185307
- DTXSID
DTXSID30917031- ChEMBL
CHEMBL501483- Nikkaji
- J1.700.692D
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 15.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 381
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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