![2-Acetoxy-12-ethenyl-3,9-dimethoxy-8-oxobenzo[a]pyrano[3,4-g]quinolizine-11-yloxyglucosidetetraacetate isomer](/api/spectrum/IQ96dXjm9zR/structure.png?h=300&w=458 "2-Acetoxy-12-ethenyl-3,9-dimethoxy-8-oxobenzo[a]pyrano[3,4-g]quinolizine-11-yloxyglucosidetetraacetate isomer")
| SpectraBase Compound ID | 7sXWPNzsGs8 |
|---|---|
| InChI | InChI=1S/C36H41NO16/c1-9-22-24-13-25-23-14-27(47-17(3)39)26(44-7)12-21(23)10-11-37(25)33(43)29(24)35(45-8)52-34(22)53-36-32(50-20(6)42)31(49-19(5)41)30(48-18(4)40)28(51-36)15-46-16(2)38/h9,12-14,22,28,30-32,34-36H,1,10-11,15H2,2-8H3/t22-,28-,30-,31+,32-,34+,35+,36?/m1/s1 |
| InChIKey | PMYBEDYELMFLLH-IAPAMUFTSA-N |
| Mol Weight | 743.7 g/mol |
| Molecular Formula | C36H41NO16 |
| Exact Mass | 743.242534 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | IQ96dXjm9zR |
|---|---|
| Name | 2-Acetoxy-12-ethenyl-3,9-dimethoxy-8-oxobenzo[a]pyrano[3,4-g]quinolizine-11-yloxyglucosidetetraacetate isomer |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C36H41NO16 |
| InChI | InChI=1S/C36H41NO16/c1-9-22-24-13-25-23-14-27(47-17(3)39)26(44-7)12-21(23)10-11-37(25)33(43)29(24)35(45-8)52-34(22)53-36-32(50-20(6)42)31(49-19(5)41)30(48-18(4)40)28(51-36)15-46-16(2)38/h9,12-14,22,28,30-32,34-36H,1,10-11,15H2,2-8H3/t22-,28-,30-,31+,32-,34+,35+,36?/m1/s1 |
| InChIKey | PMYBEDYELMFLLH-IAPAMUFTSA-N |
| Molecular Weight | 743.715 g/mol |
| SMILES | C1=2C(N3CCc4c(C3=CC2[C@](C=C)([H])[C@@](O[C@@]1(OC)[H])(OC1[C@@]([C@@](OC(=O)C)([C@@]([C@](O1)(COC(=O)C)[H])(OC(=O)C)[H])[H])(OC(=O)C)[H])[H])cc(OC(=O)C)c(c4)OC)=O |
| SPLASH | splash10-01ox-5009000000-75c7c398e8187a90510c |
| Source of Spectrum | H1-48-503-6 |
| Wiley ID | 816216 |