(4S)-7-hydroxy-3',6,7-trimethylspiro[2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-4,2'-oxirane]-3,8-dione
Basic information
- CAS
471-14-7- Standard SMILES
CC1C[C@@]2(OC2C)C(=O)OC2CCN3CC=C(COC(=O)C1(C)O)C23- InChIKey
IAPHXJRHXBQDQJ-LOHAKXRJSA-N- Molecular formula
- C18H25NO6
- Average molar mass
- 351.4 g/mol
- Monoisotopic mass
- 351.16818752
Overview
See also: Jacobine (annotation moved to).
Names & identifiers
- Preferred name
- (4S)-7-hydroxy-3',6,7-trimethylspiro[2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-4,2'-oxirane]-3,8-dione
- IUPAC
- (4S)-7-hydroxy-3',6,7-trimethylspiro[2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-4,2'-oxirane]-3,8-dione
Names & synonyms
(4S)-7-hydroxy-3',6,7-trimethylspiro[2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-4,2'-oxirane]-3,8-dioneDTXSID00963742471-14-7(1R,3'R,4S,6R,7R,17R)-7-Hydroxy-3',6,7-trimethylspiro[2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-4,2'-oxirane]-3,8-dione12-Hydroxy-15,20-dihydro-15,20-epoxysenecionan-11,16-dione(15S)-12-hydroxy-15,20-dihydro-15,20-epoxysenecionan-11,16-dione
Database identifiers
- CAS
471-14-7- PubChem CID
- 23303
- DTXSID
DTXSID00963742
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 88.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 0
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 647
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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