| SpectraBase Compound ID | 2MRyEQ9WO3Y |
|---|---|
| InChI | InChI=1S/C27H26O20/c28-9-1-6(2-10(29)16(9)33)24(41)47-27-21(38)20(37)18(35)12(45-27)5-44-25(42)8(4-13(31)32)15-14-7(3-11(30)17(34)19(14)36)26(43)46-22(15)23(39)40/h1-3,8,12,15,18,20-22,27-30,33-38H,4-5H2,(H,31,32)(H,39,40)/t8-,12+,15+,18+,20-,21+,22+,27-/m1/s1 |
| InChIKey | BNFJLSCQEIACTE-QYYAYUHDSA-N |
| Mol Weight | 670.48 g/mol |
| Molecular Formula | C27H26O20 |
| Exact Mass | 670.101743 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5dFDrrH0EPB |
|---|---|
| Name | PHYLLANEMBLININ-F;6-O-NEOCHEBULOYL-1-O-GALLOYL-BETA-D-GLUCOSE |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H26O20 |
| InChI | InChI=1S/C27H26O20/c28-9-1-6(2-10(29)16(9)33)24(41)47-27-21(38)20(37)18(35)12(45-27)5-44-25(42)8(4-13(31)32)15-14-7(3-11(30)17(34)19(14)36)26(43)46-22(15)23(39)40/h1-3,8,12,15,18,20-22,27-30,33-38H,4-5H2,(H,31,32)(H,39,40)/t8-,12+,15+,18+,20-,21+,22+,27-/m1/s1 |
| InChIKey | BNFJLSCQEIACTE-QYYAYUHDSA-N |
| Literature Reference Author | Y.J.ZHANG,T.ABE,T.TANAKA,C.R.YANG,I.KOUNO |
| Literature Reference Citation | J.NAT.PROD.,64,1527(2001) |
| Literature Reference DOI | 10.1021/np010370g |
| Molecular Weight | 670.491 g/mol |
| Solvent | ACETONE-D6 |
| Source File Reference | UWSI2395 |