| SpectraBase Compound ID | BKBgmPhtkRl |
|---|---|
| InChI | InChI=1S/C27H30O12/c1-11(2)3-4-12-5-13(6-17(31)21(12)32)26-15(9-28)22(33)20-16(30)7-14(8-18(20)38-26)37-27-25(36)24(35)23(34)19(10-29)39-27/h3,5-8,19,23-25,27-32,34-36H,4,9-10H2,1-2H3/t19-,23-,24+,25-,27-/m0/s1 |
| InChIKey | TTYVGHVGKPQQDZ-JCBMWCCKSA-N |
| Mol Weight | 546.53 g/mol |
| Molecular Formula | C27H30O12 |
| Exact Mass | 546.173726 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | adiILRwir7 |
|---|---|
| Name | PEDUNCULOSIMOSIDE_D;5'-(3-METHYL-2-BUTEN-1-YL)-OPHIOGLONOL_7-O-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H30O12 |
| InChI | InChI=1S/C27H30O12/c1-11(2)3-4-12-5-13(6-17(31)21(12)32)26-15(9-28)22(33)20-16(30)7-14(8-18(20)38-26)37-27-25(36)24(35)23(34)19(10-29)39-27/h3,5-8,19,23-25,27-32,34-36H,4,9-10H2,1-2H3/t19-,23-,24+,25-,27-/m0/s1 |
| InChIKey | TTYVGHVGKPQQDZ-JCBMWCCKSA-N |
| Literature Reference Author | C.X.WAN,P.H.ZHANG,J.G.LUO,L.Y.KONG |
| Literature Reference Citation | J.NAT.PROD.,74,683(2011) |
| Literature Reference DOI | 10.1021/np100745z |
| Molecular Weight | 546.528 g/mol |
| Sample ID | 37258 |
| Solvent | DMSO-D6 |