| SpectraBase Compound ID | BiE8DYdWdaj |
|---|---|
| InChI | InChI=1S/C42H66O14/c1-37(2)14-20-19-8-9-24-39(5)12-11-26(38(3,4)23(39)10-13-40(24,6)41(19,7)15-25(44)42(20)16-27(37)56-36(42)51)55-35-33(50)31(48)29(46)22(54-35)18-52-34-32(49)30(47)28(45)21(17-43)53-34/h8,20-35,43-50H,9-18H2,1-7H3/t20?,21-,22-,23?,24?,25+,26?,27+,28-,29-,30+,31+,32-,33-,34-,35+,39+,40-,41-,42-/m1/s1 |
| InChIKey | OYDSBNDKWCNJAU-XTRWAUQBSA-N |
| Mol Weight | 795.0 g/mol |
| Molecular Formula | C42H66O14 |
| Exact Mass | 794.445257 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KteZ7t7JIkE |
|---|---|
| Name | PROACACIASIDE-I;ACACIC-ACID-LACTONE-3-O-BETA-D-GLUCOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H66O14 |
| InChI | InChI=1S/C42H66O14/c1-37(2)14-20-19-8-9-24-39(5)12-11-26(38(3,4)23(39)10-13-40(24,6)41(19,7)15-25(44)42(20)16-27(37)56-36(42)51)55-35-33(50)31(48)29(46)22(54-35)18-52-34-32(49)30(47)28(45)21(17-43)53-34/h8,20-35,43-50H,9-18H2,1-7H3/t20?,21-,22-,23?,24?,25+,26?,27+,28-,29-,30+,31+,32-,33-,34-,35+,39+,40-,41-,42-/m1/s1 |
| InChIKey | OYDSBNDKWCNJAU-XTRWAUQBSA-N |
| Literature Reference Author | S.GARAI,S.B.MAHATO |
| Literature Reference Citation | PHYTOCHEM.,44,137(1997) |
| Literature Reference DOI | 10.1016/S0031-9422(96)00399-8 |
| Molecular Weight | 794.978 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWPA20 |