| SpectraBase Compound ID | 3kQ6tnhuY1r |
|---|---|
| InChI | InChI=1S/C27H26O20/c28-5-12-18(36)22(20(38)27(44-12)47-24(41)6-1-9(29)16(34)10(30)2-6)46-26(43)8(4-13(32)33)15-14-7(3-11(31)17(35)19(14)37)25(42)45-21(15)23(39)40/h1-3,8,12,15,18,20-22,27-31,34-38H,4-5H2,(H,32,33)(H,39,40)/t8-,12-,15+,18-,20-,21+,22+,27+/m0/s1 |
| InChIKey | QMVGUCBQONPPFT-LAGCYUCJSA-N |
| Mol Weight | 670.49 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 | K2j1XFyZpmt |
|---|---|
| Name | PHYLLANEMBLININ-D;3-O-NEOCHEBULOYL-1-O-GALLOYL-BETA-D-GLUCOSE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H26O20 |
| InChI | InChI=1S/C27H26O20/c28-5-12-18(36)22(20(38)27(44-12)47-24(41)6-1-9(29)16(34)10(30)2-6)46-26(43)8(4-13(32)33)15-14-7(3-11(31)17(35)19(14)37)25(42)45-21(15)23(39)40/h1-3,8,12,15,18,20-22,27-31,34-38H,4-5H2,(H,32,33)(H,39,40)/t8-,12-,15+,18-,20-,21+,22+,27+/m0/s1 |
| InChIKey | QMVGUCBQONPPFT-LAGCYUCJSA-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 | UWSI2393 |