| SpectraBase Compound ID | IN0F2WATRxB |
|---|---|
| InChI | InChI=1S/C49H64O26/c1-19-12-13-29-31(15-63-46(36(19)29)74-48-42(69-27(9)56)40(67-25(7)54)38(65-23(5)52)34(72-48)17-61-21(3)50)45(59)71-33-14-30-32(44(58)60-11)16-64-47(37(30)20(33)2)75-49-43(70-28(10)57)41(68-26(8)55)39(66-24(6)53)35(73-49)18-62-22(4)51/h15-16,19-20,29-30,33-43,46-49H,12-14,17-18H2,1-11H3/t19-,20-,29?,30?,33?,34-,35-,36?,37?,38-,39-,40+,41+,42-,43-,46-,47-,48+,49+/m0/s1 |
| InChIKey | NDWIEXBDCOBXCA-ZFMYHXTKSA-N |
| Mol Weight | 1069.0 g/mol |
| Molecular Formula | C49H64O26 |
| Exact Mass | 1068.368582 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KCBNGfTeLqy |
|---|---|
| Name | PICCONIOSIDE-I-OCTAACETATE |
| Compound Number | 12A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C49H64O26 |
| InChI | InChI=1S/C49H64O26/c1-19-12-13-29-31(15-63-46(36(19)29)74-48-42(69-27(9)56)40(67-25(7)54)38(65-23(5)52)34(72-48)17-61-21(3)50)45(59)71-33-14-30-32(44(58)60-11)16-64-47(37(30)20(33)2)75-49-43(70-28(10)57)41(68-26(8)55)39(66-24(6)53)35(73-49)18-62-22(4)51/h15-16,19-20,29-30,33-43,46-49H,12-14,17-18H2,1-11H3/t19-,20-,29?,30?,33?,34-,35-,36?,37?,38-,39-,40+,41+,42-,43-,46-,47-,48+,49+/m0/s1 |
| InChIKey | NDWIEXBDCOBXCA-ZFMYHXTKSA-N |
| Literature Reference Author | S.DAMTOFT,H.FRANZYK,S.R.JENSEN |
| Literature Reference Citation | PHYTOCHEM.,45,743(1997) |
| Literature Reference DOI | 10.1016/S0031-9422(97)00023-X |
| Molecular Weight | 1069.032 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSP1535 |