![#10;CINNACASSIOL;2-[1-O-(PHENYLMETHANYL)-O-BETA-D-APIOFURANOSYL-(1->6)-BETA-D-GLUCOPYRANOSYL-]-(2->2)-(O-ALPHA-L-RHAMNOPYRANOSYL)-(1->6)-BETA-D-GLUCOPYRANOSYL](/api/spectrum/4XftM5HNNyM/structure.png?h=300&w=458 "#10;CINNACASSIOL;2-[1-O-(PHENYLMETHANYL)-O-BETA-D-APIOFURANOSYL-(1->6)-BETA-D-GLUCOPYRANOSYL-]-(2->2)-(O-ALPHA-L-RHAMNOPYRANOSYL)-(1->6)-BETA-D-GLUCOPYRANOSYL")
| SpectraBase Compound ID | DddZL0pmbSC |
|---|---|
| InChI | InChI=1S/C39H54O20/c1-19-25(42)28(45)31(48)35(55-19)52-15-24-27(44)30(47)33(37(58-24)56-22-12-6-5-10-21(22)11-7-13-40)59-32-29(46)26(43)23(16-53-38-34(49)39(50,17-41)18-54-38)57-36(32)51-14-20-8-3-2-4-9-20/h2-12,19,23-38,40-50H,13-18H2,1H3/b11-7+/t19-,23+,24+,25-,26+,27+,28+,29-,30-,31+,32+,33+,34-,35+,36+,37+,38+,39+/m0/s1 |
| InChIKey | MQBGJIQDVYJCON-UCUIAHEVSA-N |
| Mol Weight | 842.8 g/mol |
| Molecular Formula | C39H54O20 |
| Exact Mass | 842.320844 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4XftM5HNNyM |
|---|---|
| Name | #10;CINNACASSIOL;2-[1-O-(PHENYLMETHANYL)-O-BETA-D-APIOFURANOSYL-(1->6)-BETA-D-GLUCOPYRANOSYL-]-(2->2)-(O-ALPHA-L-RHAMNOPYRANOSYL)-(1->6)-BETA-D-GLUCOPYRANOSYL |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H54O20 |
| InChI | InChI=1S/C39H54O20/c1-19-25(42)28(45)31(48)35(55-19)52-15-24-27(44)30(47)33(37(58-24)56-22-12-6-5-10-21(22)11-7-13-40)59-32-29(46)26(43)23(16-53-38-34(49)39(50,17-41)18-54-38)57-36(32)51-14-20-8-3-2-4-9-20/h2-12,19,23-38,40-50H,13-18H2,1H3/b11-7+/t19-,23+,24+,25-,26+,27+,28+,29-,30-,31+,32+,33+,34-,35+,36+,37+,38+,39+/m0/s1 |
| InChIKey | MQBGJIQDVYJCON-UCUIAHEVSA-N |
| Literature Reference Author | T.M.NGOC,I.LEE,D.T.HA,H.KIM,B.S.MIN,K.H.BAE |
| Literature Reference Citation | J.NAT.PROD.,72,1205(2009) |
| Literature Reference DOI | 10.1021/np900031q |
| Molecular Weight | 842.846 g/mol |
| Sample ID | 33125 |
| Solvent | CD3OD |