| SpectraBase Compound ID | 7nRK9gaiH58 |
|---|---|
| InChI | InChI=1S/C29H34O15/c1-12-22(36)23(37)24(38)28(40-12)44-26-25(43-21(35)7-3-13-2-5-15(31)17(33)8-13)19(10-30)42-29-27(26)41-20(11-39-29)14-4-6-16(32)18(34)9-14/h2-9,12,19-20,22-34,36-38H,10-11H2,1H3/b7-3+/t12-,19+,20+,22-,23+,24+,25+,26-,27+,28-,29+/m0/s1 |
| InChIKey | FPOYEEKZOOLVJA-WLLRULDYSA-N |
| Mol Weight | 622.6 g/mol |
| Molecular Formula | C29H34O15 |
| Exact Mass | 622.18977 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 41IW3pQc0Gh |
|---|---|
| Name | CRENATOSIDE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H34O15 |
| InChI | InChI=1S/C29H34O15/c1-12-22(36)23(37)24(38)28(40-12)44-26-25(43-21(35)7-3-13-2-5-15(31)17(33)8-13)19(10-30)42-29-27(26)41-20(11-39-29)14-4-6-16(32)18(34)9-14/h2-9,12,19-20,22-34,36-38H,10-11H2,1H3/b7-3+/t12-,19+,20+,22-,23+,24+,25+,26-,27+,28-,29+/m0/s1 |
| InChIKey | FPOYEEKZOOLVJA-WLLRULDYSA-N |
| Literature Reference Author | M.S.AFIFI,M.F.LAHLOUB,S.A.EL-KHAYAAT,C.G.ANKLIN,H.RUEGGER,O. STICHER |
| Literature Reference Citation | PLANTA.MED.,59,359(1993) |
| Literature Reference DOI | 10.1055/s-2006-959701 |
| Molecular Weight | 622.580 g/mol |
| Solvent | CD3OD |
| Source File Reference | UIAP475 |