JACOBINE
(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
Also Known As: JACOBINE, CCRIS 5777, HSDB 3500, BRN 0054580, 12-Hydroxy-15,20-dihydro-15,20-epoxysenecionan-11,16-dione, 15,20-Epoxy-15,20-dihydro-12-hydroxysenecionan-11,16-dione, (15S)-12-hydroxy-15,20-dihydro-15,20-epoxysenecionan-11,16-dione, (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-dione, (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, (15alpha,20R)15,20-Epoxy-15,20-dihydro-12-hydroxy-senecionan-11,16-dione, (15alpha,20R)15,20-Epoxy-15,20-dihydro-12-hydroxysenecionan-11,16-dione, 12beta-Hydroxy-12alpha,13beta-dimethylsenec-1-enine-15S-spiro-2'-(3'R-methyloxiran), Senecionan-11,16-dione, 15,20-epoxy-15,20-dihydro-12-hydroxy-, (15-alpha,20S)-, Senecionan-11,16-dione, 15,20-epoxy-15,20-dihydro-12-hydroxy-, (15alpha,20R)-
| Molecular Formula | C18H25NO6 |
|---|---|
| Molecular Weight | 351.16818 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 88.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 0 |
| Exact Mass | 351.16818 |
| Heavy Atoms | 25 |
| Complexity | 643 |
Chemical Identifiers
| CAS Number | 6870-67-3 |
|---|---|
| SMILES | CC1C[C@]2(C(O2)C)C(=O)OC3CCN4C3C(=CC4)COC(=O)C1(C)O |
Product Overview
JACOBINE (CAS 6870-67-3), with molecular formula C18H25NO6 and molecular weight 351.16818 g/mol. 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.
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