| SpectraBase Compound ID | JDUEKZCIyz8 |
|---|---|
| InChI | InChI=1S/C39H46O23/c1-17(40)50-15-29-32(53-20(4)43)34(55-22(6)45)36(57-24(8)47)38(60-29)59-27-12-10-26(14-28(27)52-19(3)42)11-13-31(49)62-39-37(58-25(9)48)35(56-23(7)46)33(54-21(5)44)30(61-39)16-51-18(2)41/h10-14,29-30,32-39H,15-16H2,1-9H3/b13-11+/t29-,30+,32-,33+,34+,35-,36-,37+,38-,39-/m1/s1 |
| InChIKey | ZJFXTIKNVVSIHD-IFDLPRDUSA-N |
| Mol Weight | 882.8 g/mol |
| Molecular Formula | C39H46O23 |
| Exact Mass | 882.242988 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FYN2Z9bLKVp |
|---|---|
| Name | NONA-O-ACETYL-BETA-D-GLUCOPYRANOSYL_4-O-BETA-D-GLUCOPYRANOSYLCAFFEATE |
| Compound Number | 2A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H46O23 |
| InChI | InChI=1S/C39H46O23/c1-17(40)50-15-29-32(53-20(4)43)34(55-22(6)45)36(57-24(8)47)38(60-29)59-27-12-10-26(14-28(27)52-19(3)42)11-13-31(49)62-39-37(58-25(9)48)35(56-23(7)46)33(54-21(5)44)30(61-39)16-51-18(2)41/h10-14,29-30,32-39H,15-16H2,1-9H3/b13-11+/t29-,30+,32-,33+,34+,35-,36-,37+,38-,39-/m1/s1 |
| InChIKey | ZJFXTIKNVVSIHD-IFDLPRDUSA-N |
| Literature Reference Author | H.BRAHAM,Z.MIGHRI,H.B.JANNET,S.MATTHEW,P.M.ABREU |
| Literature Reference Citation | J.NAT.PROD.,68,517(2005) |
| Literature Reference DOI | 10.1021/np049581m |
| Molecular Weight | 882.780 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ9611 |