![AMPELOZIZYPHOSIDE-A;[(20R,22R)-16-BETA,22:16-ALPHA,30-DIEPOXY-DAMMAR-24(24')-METHYLENE-3-BETA,15-ALPHA,20-TRIOL]-15-O-ACETYL-3-O-ALPHA-L-RHAMNOPYRA](/api/spectrum/BOB3yWeZ3X/structure.png?h=300&w=458 "AMPELOZIZYPHOSIDE-A;[(20R,22R)-16-BETA,22:16-ALPHA,30-DIEPOXY-DAMMAR-24(24')-METHYLENE-3-BETA,15-ALPHA,20-TRIOL]-15-O-ACETYL-3-O-ALPHA-L-RHAMNOPYRA")
| SpectraBase Compound ID | BTrDQNdQAjK |
|---|---|
| InChI | InChI=1S/C45H72O15/c1-20(2)21(3)17-29-43(10,53)36-24-11-12-27-41(8)15-14-28(40(6,7)26(41)13-16-42(27,9)44(24)19-54-45(36,60-29)39(44)56-23(5)47)58-38-35(33(51)31(49)25(18-46)57-38)59-37-34(52)32(50)30(48)22(4)55-37/h20,22,24-39,46,48-53H,3,11-19H2,1-2,4-10H3/t22-,24+,25+,26-,27+,28-,29+,30-,31+,32+,33-,34+,35+,36?,37-,38-,39+,41-,42+,43-,44-,45+/m0/s1 |
| InChIKey | CBEZFGCMROLTLX-ASPSQFNYSA-N |
| Mol Weight | 853.1 g/mol |
| Molecular Formula | C45H72O15 |
| Exact Mass | 852.487122 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BOB3yWeZ3X |
|---|---|
| Name | AMPELOZIZYPHOSIDE-A;[(20R,22R)-16-BETA,22:16-ALPHA,30-DIEPOXY-DAMMAR-24(24')-METHYLENE-3-BETA,15-ALPHA,20-TRIOL]-15-O-ACETYL-3-O-ALPHA-L-RHAMNOPYRA |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H72O15 |
| InChI | InChI=1S/C45H72O15/c1-20(2)21(3)17-29-43(10,53)36-24-11-12-27-41(8)15-14-28(40(6,7)26(41)13-16-42(27,9)44(24)19-54-45(36,60-29)39(44)56-23(5)47)58-38-35(33(51)31(49)25(18-46)57-38)59-37-34(52)32(50)30(48)22(4)55-37/h20,22,24-39,46,48-53H,3,11-19H2,1-2,4-10H3/t22-,24+,25+,26-,27+,28-,29+,30-,31+,32+,33-,34+,35+,36?,37-,38-,39+,41-,42+,43-,44-,45+/m0/s1 |
| InChIKey | CBEZFGCMROLTLX-ASPSQFNYSA-N |
| Literature Reference Author | M.G.L.BRANDAO,M.A.LACAILLE-DUBOIS,M.A.TEIXEIRA,H.WAGNER |
| Literature Reference Citation | PHYTOCHEM.,34,1123(1993) |
| Literature Reference DOI | 10.1016/S0031-9422(00)90728-3 |
| Molecular Weight | 853.058 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVN6941 |