![ACACETIN-7-O-[6''''-O-ACETYL-BETA-GLUCOPYRANOSYL-(1''''->2'')]-ALPHA-RHAMNOPYRANOSYL-(1'''->6'')-BETA-GLUCOPYRANOSIDE](/api/spectrum/LyYNoS7heGJ/structure.png?h=300&w=458 "ACACETIN-7-O-[6''''-O-ACETYL-BETA-GLUCOPYRANOSYL-(1''''->2'')]-ALPHA-RHAMNOPYRANOSYL-(1'''->6'')-BETA-GLUCOPYRANOSIDE")
| SpectraBase Compound ID | FBrQ7IDRfNy |
|---|---|
| InChI | InChI=1S/C36H44O20/c1-13-25(40)28(43)31(46)34(51-13)50-12-23-27(42)30(45)33(56-35-32(47)29(44)26(41)22(54-35)11-49-14(2)37)36(55-23)52-17-8-18(38)24-19(39)10-20(53-21(24)9-17)15-4-6-16(48-3)7-5-15/h4-10,13,22-23,25-36,38,40-47H,11-12H2,1-3H3/t13-,22+,23+,25-,26+,27+,28+,29-,30-,31+,32+,33+,34+,35-,36+/m1/s1 |
| InChIKey | MADAEFDWNZQTDX-VCCKYZGFSA-N |
| Mol Weight | 796.7 g/mol |
| Molecular Formula | C36H44O20 |
| Exact Mass | 796.242594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LyYNoS7heGJ |
|---|---|
| Name | ACACETIN-7-O-[6''''-O-ACETYL-BETA-GLUCOPYRANOSYL-(1''''->2'')]-ALPHA-RHAMNOPYRANOSYL-(1'''->6'')-BETA-GLUCOPYRANOSIDE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H44O20 |
| InChI | InChI=1S/C36H44O20/c1-13-25(40)28(43)31(46)34(51-13)50-12-23-27(42)30(45)33(56-35-32(47)29(44)26(41)22(54-35)11-49-14(2)37)36(55-23)52-17-8-18(38)24-19(39)10-20(53-21(24)9-17)15-4-6-16(48-3)7-5-15/h4-10,13,22-23,25-36,38,40-47H,11-12H2,1-3H3/t13-,22+,23+,25-,26+,27+,28+,29-,30-,31+,32+,33+,34+,35-,36+/m1/s1 |
| InChIKey | MADAEFDWNZQTDX-VCCKYZGFSA-N |
| Literature Reference Author | P.D.MARIN,R.J.GRAYER,N.C.VEITCH,G.C.KITE,J.B.HARBORNE |
| Literature Reference Citation | PHYTOCHEM.,58,943(2001) |
| Literature Reference DOI | 10.1016/S0031-9422(01)00352-1 |
| Molecular Weight | 796.733 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWLU3046 |