![3-O-[BETA-D-GLUCOPYRANOSYL-(1->2)-BETA-D-XYLOPYRANOSYL]-PHYTOLACCINIC-ACID](/api/spectrum/3WyVeHJuPxq/structure.png?h=300&w=458 "3-O-[BETA-D-GLUCOPYRANOSYL-(1->2)-BETA-D-XYLOPYRANOSYL]-PHYTOLACCINIC-ACID")
| SpectraBase Compound ID | 6EOpF1JP29O |
|---|---|
| InChI | InChI=1S/C42H66O15/c1-37(36(52)53-6)13-15-42(35(50)51)16-14-40(4)21(22(42)17-37)7-8-26-38(2)11-10-27(39(3,20-44)25(38)9-12-41(26,40)5)57-33-31(48)29(46)24(19-54-33)56-34-32(49)30(47)28(45)23(18-43)55-34/h7,22-34,43-49H,8-20H2,1-6H3,(H,50,51)/t22?,23-,24-,25?,26?,27+,28-,29+,30+,31-,32-,33+,34+,37+,38+,39+,40-,41-,42+/m1/s1 |
| InChIKey | NMDFCFOQBAHNPV-UKVGXPHKSA-N |
| Mol Weight | 811.0 g/mol |
| Molecular Formula | C42H66O15 |
| Exact Mass | 810.440171 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3WyVeHJuPxq |
|---|---|
| Name | 3-O-[BETA-D-GLUCOPYRANOSYL-(1->2)-BETA-D-XYLOPYRANOSYL]-PHYTOLACCINIC-ACID |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H66O15 |
| InChI | InChI=1S/C42H66O15/c1-37(36(52)53-6)13-15-42(35(50)51)16-14-40(4)21(22(42)17-37)7-8-26-38(2)11-10-27(39(3,20-44)25(38)9-12-41(26,40)5)57-33-31(48)29(46)24(19-54-33)56-34-32(49)30(47)28(45)23(18-43)55-34/h7,22-34,43-49H,8-20H2,1-6H3,(H,50,51)/t22?,23-,24-,25?,26?,27+,28-,29+,30+,31-,32-,33+,34+,37+,38+,39+,40-,41-,42+/m1/s1 |
| InChIKey | NMDFCFOQBAHNPV-UKVGXPHKSA-N |
| Literature Reference Author | H.TAKAHASHI,Y.NAMIKAWA,M.TANAKA,Y.FUKUYAMA |
| Literature Reference Citation | CHEM.PHARM.BULL.,49,246(2001) |
| Literature Reference DOI | 10.1248/cpb.49.246 |
| Molecular Weight | 810.977 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVN28999 |