| SpectraBase Compound ID | GXrrPHpcG3U |
|---|---|
| InChI | InChI=1S/C41H64O13/c1-36(2)14-20-19-8-9-24-38(5)12-11-26(52-34-32(30(47)29(46)22(17-42)51-34)54-33-31(48)28(45)21(43)18-50-33)37(3,4)23(38)10-13-39(24,6)40(19,7)15-25(44)41(20)16-27(36)53-35(41)49/h8,20-34,42-48H,9-18H2,1-7H3/t20?,21-,22+,23?,24?,25-,26-,27-,28-,29+,30-,31+,32+,33-,34-,38-,39+,40+,41+/m0/s1 |
| InChIKey | KIIAWZXATGZUIR-KSBAHFTISA-N |
| Mol Weight | 764.9 g/mol |
| Molecular Formula | C41H64O13 |
| Exact Mass | 764.434692 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KKWeLCvo0B |
|---|---|
| Name | PROACACIASIDE-II;ACACIC-ACID-LACTONE-3-O-ALPHA-L-ARABINOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H64O13 |
| InChI | InChI=1S/C41H64O13/c1-36(2)14-20-19-8-9-24-38(5)12-11-26(52-34-32(30(47)29(46)22(17-42)51-34)54-33-31(48)28(45)21(43)18-50-33)37(3,4)23(38)10-13-39(24,6)40(19,7)15-25(44)41(20)16-27(36)53-35(41)49/h8,20-34,42-48H,9-18H2,1-7H3/t20?,21-,22+,23?,24?,25-,26-,27-,28-,29+,30-,31+,32+,33-,34-,38-,39+,40+,41+/m0/s1 |
| InChIKey | KIIAWZXATGZUIR-KSBAHFTISA-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 | 764.951 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWPA21 |