| SpectraBase Compound ID | JYZIdDUmdK7 |
|---|---|
| InChI | InChI=1S/C29H40O16/c1-11-19(31)21(33)23(35)27(41-11)43-14-5-4-12(8-15(14)39-3)25(37)42-16-9-29(2,38)18-13(16)6-7-40-26(18)45-28-24(36)22(34)20(32)17(10-30)44-28/h4-8,11,13,16-24,26-28,30-36,38H,9-10H2,1-3H3/t11-,13-,16+,17-,18+,19-,20-,21+,22+,23+,24-,26-,27-,28+,29-/m0/s1 |
| InChIKey | NXFHMWPVEFEUBC-BBJJZTHRSA-N |
| Mol Weight | 644.6 g/mol |
| Molecular Formula | C29H40O16 |
| Exact Mass | 644.231635 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1jwXWOY2j1s |
|---|---|
| Name | 6-O-(4''-O-ALHA-L-RHAMNOPYRANOSYLVANILLOYL)-AJUGOL |
| Compound Number | 39 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H40O16 |
| InChI | InChI=1S/C29H40O16/c1-11-19(31)21(33)23(35)27(41-11)43-14-5-4-12(8-15(14)39-3)25(37)42-16-9-29(2,38)18-13(16)6-7-40-26(18)45-28-24(36)22(34)20(32)17(10-30)44-28/h4-8,11,13,16-24,26-28,30-36,38H,9-10H2,1-3H3/t11-,13-,16+,17-,18+,19-,20-,21+,22+,23+,24-,26-,27-,28+,29-/m0/s1 |
| InChIKey | NXFHMWPVEFEUBC-BBJJZTHRSA-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 | 644.627 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ16036 |