| SpectraBase Compound ID | G4BiGf8FHxk |
|---|---|
| InChI | InChI=1S/C16H21NO6/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/h4,6,9,11,20-21H,5,7-8H2,1-3H3 |
| InChIKey | ZONSVLURFASOJK-UHFFFAOYSA-N |
| Mol Weight | 323.35 g/mol |
| Molecular Formula | C16H21NO6 |
| Exact Mass | 323.136887 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LnpisF6Tggm |
|---|---|
| Name | 20-Norcrotalanan-11,15-dione, 3,8-didehydro-14,19-dihydro-12,13-dihydroxy-, (13.alpha.,14.alpha.)- |
| CAS Registry Number | 23291-96-5 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C16H21NO6 |
| InChI | InChI=1S/C16H21NO6/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/h4,6,9,11,20-21H,5,7-8H2,1-3H3 |
| InChIKey | ZONSVLURFASOJK-UHFFFAOYSA-N |
| Molecular Weight | 323.345 g/mol |
| SMILES | OC1(C(C(OC2c3[n](ccc3COC(C1(C)O)=O)CC2)=O)C)C |
| SPLASH | splash10-014i-0910000000-d45a0fd84d6c4a60aa42 |
| Source of Spectrum | KC-69-1155-3 |
| Synonyms | 4,5-Dihydroxy-3,4,5-trimethyl-4,5,8,12,13,13a-hexahydro-2H-[1,6]dioxacycloundecino[2,3,4-gh]pyrrolizine-2,6(3H)-dione 20-Norcrotalanan-11,15-dione, 3,8-didehydro-14,19-dihydro-12,13-dihydroxy-, (13-alpha,14-alpha)- 2H-(,6)dioxacyclounlecino(2,3,4-gh)pyrrolizine-2,6(3H)-dione, 4,5,8,12,13,13a-hexahydro-4,5-dihydroxy-3,4,5-trimethyl-, (3R,4R,5R,13aR)- 2H-(,6)dioxacyclounlecino(2,3,4-gh)pyrrolizine-2,6(3H)-dione, 4,5,8,12,13,13a-hexahydro-4,5-dihydroxy-3,4,5-trimethyl-, (3R-(3R*,4R*,5R*,13aR*))- 3,8-Didehydromonocrotaline Dehydromonocrotaline Monocrotaline pyrrole Monocrotaline pyrrole metabolite Monocrotaline, 3,8-didehydro- |
| Wiley ID | 48207 |