| SpectraBase Compound ID | GlnKPRPy4Pu |
|---|---|
| InChI | InChI=1S/C31H40O16/c1-13-25(44-18(34)8-5-14-3-6-15(40-2)7-4-14)22(37)24(39)29(42-13)45-26-16-9-10-41-28(19(16)31(12-33)27(26)47-31)46-30-23(38)21(36)20(35)17(11-32)43-30/h3-10,13,16-17,19-30,32-33,35-39H,11-12H2,1-2H3/b8-5+/t13-,16-,17+,19-,20+,21-,22-,23+,24+,25-,26+,27+,28+,29-,30-,31-/m1/s1 |
| InChIKey | RTCISXKUWWQSRF-QFSVAYMUSA-N |
| Mol Weight | 668.6 g/mol |
| Molecular Formula | C31H40O16 |
| Exact Mass | 668.231635 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9kKtGbmQfeQ |
|---|---|
| Name | VERBASCOSIDE_A |
| Compound Number | 93 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H40O16 |
| InChI | InChI=1S/C31H40O16/c1-13-25(44-18(34)8-5-14-3-6-15(40-2)7-4-14)22(37)24(39)29(42-13)45-26-16-9-10-41-28(19(16)31(12-33)27(26)47-31)46-30-23(38)21(36)20(35)17(11-32)43-30/h3-10,13,16-17,19-30,32-33,35-39H,11-12H2,1-2H3/b8-5+/t13-,16-,17+,19-,20+,21-,22-,23+,24+,25-,26+,27+,28+,29-,30-,31-/m1/s1 |
| InChIKey | RTCISXKUWWQSRF-QFSVAYMUSA-N |
| Literature Reference Author | C.A.BOROS,F.R.STERMITZ |
| Literature Reference Citation | J.NAT.PROD.,53,1055(1990) |
| Literature Reference DOI | 10.1021/np50071a001 |
| Molecular Weight | 668.649 g/mol |
| Solvent | DMSO-D6:CDCl3 |
| Source File Reference | UWMZ16086 |