| SpectraBase Compound ID | KTW4l34ukQV |
|---|---|
| InChI | InChI=1S/C16H23NO6/c1-9-13(18)23-11-5-7-17-6-4-10(12(11)17)8-22-14(19)16(3,21)15(9,2)20/h4,9,11-12,20-21H,5-8H2,1-3H3 |
| InChIKey | QVCMHGGNRFRMAD-UHFFFAOYSA-N |
| Mol Weight | 325.36 g/mol |
| Molecular Formula | C16H23NO6 |
| Exact Mass | 325.152537 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | LJi70xVgTsJ |
|---|---|
| Name | 20-Norcrotalanan-11,15-dione, 14,19-dihydro-12,13-dihydroxy-, (13.alpha.,14.alpha.)- |
| CAS Registry Number | 315-22-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C16H23NO6 |
| InChI | InChI=1S/C16H23NO6/c1-9-13(18)23-11-5-7-17-6-4-10(12(11)17)8-22-14(19)16(3,21)15(9,2)20/h4,9,11-12,20-21H,5-8H2,1-3H3 |
| InChIKey | QVCMHGGNRFRMAD-UHFFFAOYSA-N |
| Molecular Weight | 325.361 g/mol |
| SMILES | OC1(C(C(OC2C3C(COC(C1(C)O)=O)=CCN3CC2)=O)C)C |
| SPLASH | splash10-00ri-3920000000-434d3f03a47dd3a048dd |
| Source of Spectrum | W5-1989-28185-0 |
| Synonyms | 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 (13-.alpha.,14-.alpha.)-14,19-Dihydro-12,13-dihydroxy-20-norcrotalanan-11,15-dione (13-alpha,14-alpha)-14,19-dihydro-12,13-dihydroxy-20-norcrotalanan-11,15-dione 14,19-Dihydro-12,13-dihydroxy(13-alpha,14-alpha)-20-norcrotalanan-11,15-dione 14,19-Dihydro-12,13-dihydroxy(13.alpha.,14.alpha.)-20-norcrotalanan-11,15-dione 14,19-Dihydro-12,13-dihydroxy-20-norcrotolanan-11,15-dione 20-Norcrotalanan-11,15-dione, 14,19-dihydro-12,13-dihydroxy-, (13-alpha,14-alpha)- 2H-[1,6]Dioxacycloundecino[2,3,4-gh]pyrrolizine, 20-norcrotalanan-11,15-dione deriv. Crotaline Monocrotalin Monocrotaline Pyrrolizidine alkaloid Retronecine cyclic 2,3-dihydroxy-2,3,4-trimethylglutarate A 6080 BRN 0048732 CCRIS 416 HSDB 3513 NCI-C56462 NSC 28693 |
| Wiley ID | 1323897 |