| SpectraBase Compound ID | BbHPG66UGUO |
|---|---|
| InChI | InChI=1S/C43H62O15/c1-20-9-12-43(37(54)58-36-32(52)31(51)30(50)26(18-44)56-36)14-13-40(4)22(33(43)42(20,6)55)7-8-28-38(2)17-25(48)34(39(3,19-45)27(38)10-11-41(28,40)5)57-35(53)21-15-23(46)29(49)24(47)16-21/h7,15-16,20,25-28,30-34,36,44-52,55H,8-14,17-19H2,1-6H3/t20-,25-,26-,27?,28?,30-,31+,32-,33?,34+,36+,38+,39+,40-,41-,42-,43+/m0/s1 |
| InChIKey | BOJKDXPVZHQDAW-KQAFJIALSA-N |
| Mol Weight | 819.0 g/mol |
| Molecular Formula | C43H62O15 |
| Exact Mass | 818.408871 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 16W1Ci0MJtp |
|---|---|
| Name | 3-O-GALLOYL-23-HYDROXYTORMENTIC ACID 28-O-beta-D-GLUCOPYRANOSIDE |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C43H62O15 |
| InChI | InChI=1S/C43H62O15/c1-20-9-12-43(37(54)58-36-32(52)31(51)30(50)26(18-44)56-36)14-13-40(4)22(33(43)42(20,6)55)7-8-28-38(2)17-25(48)34(39(3,19-45)27(38)10-11-41(28,40)5)57-35(53)21-15-23(46)29(49)24(47)16-21/h7,15-16,20,25-28,30-34,36,44-52,55H,8-14,17-19H2,1-6H3/t20-,25-,26-,27?,28?,30-,31+,32-,33?,34+,36+,38+,39+,40-,41-,42-,43+/m0/s1 |
| InChIKey | BOJKDXPVZHQDAW-KQAFJIALSA-N |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |