Monocrotaline, N-oxide
5,6-dihydroxy-4,5,6-trimethyl-13-oxido-2,8-dioxa-13-azoniatricyclo[8.5.1.013,16]hexadec-10-ene-3,7-dione
Also Known As: Monocrotaline N-oxide|Monocrotaline-N-oxide|Monocrotaline, N-oxide|dihydroxy-trimethyl-oxido-[?]dione|NCI60_000196|(13R,14R)-14,19-Dihydro-12,13-dihydroxy-20-norcrotalanan-11,15-dione 4-oxide|14,19-Dihydro-12,13-dihydroxy-20-norcrotalanan-11,15-dione 4-oxide (13-alpha,14-alpha)-|20-Norcrotalanan-11,15-dione, 14,19-dihydro-12,13-dihydroxy-, 4-oxide, (13-alpha,14-alpha)-|20-Norcrotalanan-11,15-dione, 14,19-dihydro-12,13-dihydroxy-, 4-oxide, (13.alpha.,14.alpha.)-|4,5-dihydroxy-3,4,5-trimethyl-2,6-dioxo-3,4,5,6,8,8a1,10,12,13,13a-decahydro-2H,11H-[1,6]dioxacycloundecino[2,3,4-gh]pyrrolizine 11-oxide|4,5-Dihydroxy-3,4,5-trimethyl-4,5,8,10,12,13,13a,13b-octahydro-2H-[1,6]dioxacycloundecino[2,3,4-gh]pyrrolizine-2,6(3H)-dione 11-oxide|5,6-dihydroxy-4,5,6-trimethyl-13-oxido-2,8-dioxa-13-azoniatricyclo[8.5.1.013,16]hexadec-10-ene-3,7-dione|5,6-DIHYDROXY-4,5,6-TRIMETHYL-3,7-DIOXO-2,8-DIOXA-13-AZATRICYCLO[8.5.1.0(1)(3),(1)?]HEXADEC-10-EN-13-IUM-13-OLATE
| Molecular Formula | C16H23NO7 |
|---|---|
| Molecular Weight | 341.14746 g/mol |
| LogP | -1.3 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 0 |
| Exact Mass | 341.14746 |
| Monoisotopic Mass | 341.14746 |
| Heavy Atoms | 24 |
| Complexity | 620.0 |
Chemical Identifiers
| CAS Number | 35337-98-5 |
|---|---|
| SMILES | CC1C(=O)OC2CC[N+]3(C2C(=CC3)COC(=O)C(C1(C)O)(C)O)[O-] |
| InChIKey | LHVAZUAALQTANZ-UHFFFAOYSA-N |
Product Overview
Monocrotaline, N-oxide (CAS 35337-98-5), with molecular formula C16H23NO7 and molecular weight 341.14746 g/mol. IUPAC: 5,6-dihydroxy-4,5,6-trimethyl-13-oxido-2,8-dioxa-13-azoniatricyclo[8.5.1.013,16]hexadec-10-ene-3,7-dione.
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