2-Methyl-1,3,4,9a,10,10a,11a,11b-octahydro-2H-1,5-methano[1]benzofuro[3,2-e]oxireno[h]isoquinoline-8,10-diyl diacetate
Basic information
- CAS
77632-95-2- Standard SMILES
CC(=O)Oc1ccc2c3c1O[C@@H]1[C@@H](OC(C)=O)[C@H]4O[C@H]4[C@H]4[C@@H](C2)N(C)CC[C@@]341- InChIKey
HTVVLJOUXOBFGI-DRWAVJFYSA-N- Molecular formula
- C21H23NO6
- Average molar mass
- 385.4 g/mol
- Monoisotopic mass
- 385.15253745
Names & identifiers
- Preferred name
- 2-Methyl-1,3,4,9a,10,10a,11a,11b-octahydro-2H-1,5-methano[1]benzofuro[3,2-e]oxireno[h]isoquinoline-8,10-diyl diacetate
- IUPAC
- [(1S,5R,13S,14R,15S,17S,18R)-10-acetyloxy-4-methyl-12,16-dioxa-4-azahexacyclo[9.7.1.01,13.05,18.07,19.015,17]nonadeca-7(19),8,10-trien-14-yl] acetate
Names & synonyms
2-Methyl-1,3,4,9a,10,10a,11a,11b-octahydro-2H-1,5-methano[1]benzofuro[3,2-e]oxireno[h]isoquinoline-8,10-diyl diacetateDTXSID40998851(1R,4aS,9aS,10R,10aS,11aS,11bR)-2-Methyl-1,3,4,9a,10,10a,11a,11b-octahydro-2H-1,5-methano[1]benzofuro[3,2-e]oxireno[h]isoquinoline-8,10-diyl diacetate[(1S,5R,13S,14R,15S,17S,18R)-10-Acetyloxy-4-methyl-12,16-dioxa-4-azahexacyclo[9.7.1.01,13.05,18.07,19.015,17]nonadeca-7(19),8,10-trien-14-yl] acetate
Database identifiers
- CAS
77632-95-2- PubChem CID
- 5491900
- DTXSID
DTXSID40998851
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 77.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 728
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Compound notes
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