| SpectraBase Compound ID | 6XGe2Eg0raj |
|---|---|
| InChI | InChI=1S/C33H47NO10/c1-7-34-15-30(16-39-2)19(35)13-20(40-3)32-18-14-31(38)27(44-29(37)17-11-9-8-10-12-17)21(18)33(43-6,26(36)28(31)42-5)22(25(32)34)23(41-4)24(30)32/h8-12,18-28,35-36,38H,7,13-16H2,1-6H3/t18?,19-,20+,21?,22?,23+,24?,25?,26?,27-,28+,30+,31-,32+,33-/m1/s1 |
| InChIKey | VEMVATSAPLNYSX-OWZIKDFISA-N |
| Mol Weight | 617.7 g/mol |
| Molecular Formula | C33H47NO10 |
| Exact Mass | 617.319997 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9D0Aut42EP2 |
|---|---|
| Name | 14-O-Benzoyl-8-O-methylaconine |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C33H47NO10 |
| InChI | InChI=1S/C33H47NO10/c1-7-34-15-30(16-39-2)19(35)13-20(40-3)32-18-14-31(38)27(44-29(37)17-11-9-8-10-12-17)21(18)33(43-6,26(36)28(31)42-5)22(25(32)34)23(41-4)24(30)32/h8-12,18-28,35-36,38H,7,13-16H2,1-6H3/t18?,19-,20+,21?,22?,23+,24?,25?,26?,27-,28+,30+,31-,32+,33-/m1/s1 |
| InChIKey | VEMVATSAPLNYSX-OWZIKDFISA-N |
| Molecular Weight | 617.736 g/mol |
| SMILES | O[C@]1([C@@]2(C3[C@@]4(C(C([C@@]5(C6C4C[C@]([C@](C5O)(OC)[H])([C@@]6(OC(=O)c4ccccc4)[H])O)OC)[C@@]3(OC)[H])N(C2)CC)[C@](C1)(OC)[H])COC)[H] |
| SPLASH | splash10-0a4r-0900060000-bbdb6fb0dc9a18f38bd6 |
| Source of Spectrum | X2-52-723-4 |
| Wiley ID | 1603156 |