Divinorin heptanoate
Basic information
- CAS
689295-72-5- Standard SMILES
CCCCCCC(=O)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O- InChIKey
PSUCGTUNURNBSM-HAOPNOOPSA-N- Molecular formula
- C28H38O8
- Average molar mass
- 502.6 g/mol
- Monoisotopic mass
- 502.25666817
Names & identifiers
- Preferred name
- Divinorin heptanoate
- IUPAC
- methyl (2S,4aR,6aR,7R,9S,10aS,10bR)-2-(furan-3-yl)-9-heptanoyloxy-6a,10b-dimethyl-4,10-dioxo-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[f]isochromene-7-carboxylate
Names & synonyms
divinorin heptanoate689295-72-5Salvinorin heptanoatedivinorinyl-2-heptanoatesalvinorinyl-2-heptanoateDTXSID203493422H-naphtho[2,1-c]pyran-7-carboxylic acid, 2-(3-furanyl)dodecahydro-6a,10b-dimethyl-4,10-dioxo-9-[(1-oxoheptyl)oxy]-, methyl ester, (2S,4aR,6aR,7R,9S,10aS,10bR)-2H-Naphtho[2,1-c]pyran-7-carboxylic acid, 2-(3-furanyl)dodecahydro-6a,10b-dimethyl-4,10-dioxo-9-[(1-oxoheptyl)oxy]-, methyl ester, (2S,4aR,6aR,7R,9S,10aS,10bR)- (9CI)Methyl (2S,4aR,6aR,7R,9S,10aS,10bR)-2-(furan-3-yl)-9-(heptanoyloxy)-6a,10b-dimethyl-4,10-dioxododecahydro-2H-naphtho[2,1-c]pyran-7-carboxylate
Database identifiers
- CAS
689295-72-5- PubChem CID
- 644240
- DTXSID
DTXSID20349342
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 870
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…