| SpectraBase Compound ID | FpnsDwItUhP |
|---|---|
| InChI | InChI=1S/C33H40O21/c1-9-19(38)23(42)26(45)31(48-9)49-11-5-13(37)18-15(6-11)50-29(30(22(18)41)54-33-28(47)25(44)21(40)17(8-35)53-33)10-2-3-14(12(36)4-10)51-32-27(46)24(43)20(39)16(7-34)52-32/h2-6,9,16-17,19-21,23-28,31-40,42-47H,7-8H2,1H3/t9-,16+,17-,19-,20+,21-,23+,24-,25+,26+,27+,28-,31-,32+,33+/m1/s1 |
| InChIKey | CUNHEVJFIYAKHY-NHQJZTRTSA-N |
| Mol Weight | 772.7 g/mol |
| Molecular Formula | C33H40O21 |
| Exact Mass | 772.206208 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ISO5LJfznp5 |
|---|---|
| Name | MORICANDIN;QUERCETIN-3,4'-DI-O-BETA-D-GLUCOPYRANOSIDE-7-O-ALPHA-L-RHAMNOPYRANOSIDE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H40O21 |
| InChI | InChI=1S/C33H40O21/c1-9-19(38)23(42)26(45)31(48-9)49-11-5-13(37)18-15(6-11)50-29(30(22(18)41)54-33-28(47)25(44)21(40)17(8-35)53-33)10-2-3-14(12(36)4-10)51-32-27(46)24(43)20(39)16(7-34)52-32/h2-6,9,16-17,19-21,23-28,31-40,42-47H,7-8H2,1H3/t9-,16+,17-,19-,20+,21-,23+,24-,25+,26+,27+,28-,31-,32+,33+/m1/s1 |
| InChIKey | CUNHEVJFIYAKHY-NHQJZTRTSA-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 | 772.668 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMZ9608 |