| SpectraBase Compound ID | Kmb83gySZBI |
|---|---|
| InChI | InChI=1S/C39H46N2O8/c1-40-12-10-24-17-35(45-4)31(42)20-27(24)29(40)14-23-8-9-33(44-3)39(15-23)49-34-22-38(48-7)37(47-6)19-26(34)16-30-28-21-32(43)36(46-5)18-25(28)11-13-41(30)2/h8-9,15,17-22,29-30,42-43H,10-14,16H2,1-7H3/t29-,30-/m0/s1 |
| InChIKey | WMVGDMLLUMCYSN-KYJUHHDHSA-N |
| Mol Weight | 670.8 g/mol |
| Molecular Formula | C39H46N2O8 |
| Exact Mass | 670.325416 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7SK3LzhQgVt |
|---|---|
| Name | Vanuatine |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C39H46N2O8 |
| InChI | InChI=1S/C39H46N2O8/c1-40-12-10-24-17-35(45-4)31(42)20-27(24)29(40)14-23-8-9-33(44-3)39(15-23)49-34-22-38(48-7)37(47-6)19-26(34)16-30-28-21-32(43)36(46-5)18-25(28)11-13-41(30)2/h8-9,15,17-22,29-30,42-43H,10-14,16H2,1-7H3/t29-,30-/m0/s1 |
| InChIKey | WMVGDMLLUMCYSN-KYJUHHDHSA-N |
| Molecular Weight | 670.803 g/mol |
| SMILES | Oc1c(cc2c([C@](Cc3c(Oc4cc(C[C@]5(c6cc(c(cc6CCN5C)OC)O)[H])ccc4OC)cc(c(c3)OC)OC)(N(CC2)C)[H])c1)OC |
| SPLASH | splash10-0006-0900000000-087bc779357c716885fa |
| Source of Spectrum | X2-50-557-255 |
| Wiley ID | 1602356 |