| SpectraBase Compound ID | IAG0Gi7LgX |
|---|---|
| InChI | InChI=1S/C28H34O14/c1-11-19(32)18-15(31)7-16(13-3-5-14(30)6-4-13)40-24(18)12(2)23(11)42-26-22(35)21(34)20(33)17(41-26)8-38-27-25(36)28(37,9-29)10-39-27/h3-6,16-17,20-22,25-27,29-30,32-37H,7-10H2,1-2H3/t16-,17-,20-,21+,22-,25+,26+,27-,28-/m0/s1 |
| InChIKey | KABGCWRGCBCLOH-SSZFEDNSSA-N |
| Mol Weight | 594.6 g/mol |
| Molecular Formula | C28H34O14 |
| Exact Mass | 594.194856 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8P4FVtfNNfm |
|---|---|
| Name | MICONIOSIDE-B;FARREROL-7-O-BETA-D-APIOFURANOSYL-(1->6)-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H34O14 |
| InChI | InChI=1S/C28H34O14/c1-11-19(32)18-15(31)7-16(13-3-5-14(30)6-4-13)40-24(18)12(2)23(11)42-26-22(35)21(34)20(33)17(41-26)8-38-27-25(36)28(37,9-29)10-39-27/h3-6,16-17,20-22,25-27,29-30,32-37H,7-10H2,1-2H3/t16-,17-,20-,21+,22-,25+,26+,27-,28-/m0/s1 |
| InChIKey | KABGCWRGCBCLOH-SSZFEDNSSA-N |
| Literature Reference Author | Z.ZHANG,H.N.ELSOHLY,X.C.LI,S.I.KHAN,S.E.BROEDEL,R.E.RAULLI,R .L.CIHLAR,L.A.WALKER |
| Literature Reference Citation | J.NAT.PROD.,66,39(2003) |
| Literature Reference DOI | 10.1021/np020429z |
| Molecular Weight | 594.570 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWSI16640 |