Basic information
- CAS
93452-26-7- Standard SMILES
CC(=O)O[C@H]1C=CC23CCN(Cc4cc5c(cc42)OCO5)[C@@H]3C1- InChIKey
YEIGSYFTXGPBIB-DQAFQZJZSA-N- Molecular formula
- C18H19NO4
- Average molar mass
- 313.3 g/mol
- Monoisotopic mass
- 313.13140809
Overview
Krepowine has been reported in Crinum moorei, Crinum macowanii, and other organisms with data available.
Names & identifiers
- Preferred name
- Crinine acetate
- IUPAC
- [(13R,15R)-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraen-15-yl] acetate
Names & synonyms
Crinine acetate93452-26-7KrepowineO-Acetylcrinine3-O-AcetylcrinineDTXSID509184291,2-Didehydrocrinan-3-yl acetate(5xi)-1,2-Didehydrocrinan-3alpha-yl acetate3H,6H-5,11b-Ethano(1,3)dioxolo(4,5-j)phenanthridin-3-ol, 4,4a-dihydro-, acetate (ester), (3R-(3alpha,4aalpha,5beta,11bbeta))-
Database identifiers
- CAS
93452-26-7- PubChem CID
- 185262
- DTXSID
DTXSID50918429
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 48 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 549
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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