| SpectraBase Compound ID | IKTOE1I2jIH |
|---|---|
| InChI | InChI=1S/C29H42O13/c1-15(10-11-29-27(7,8)12-21(37-17(3)31)13-28(29,9)42-29)36-26-25(40-20(6)34)24(39-19(5)33)23(38-18(4)32)22(41-26)14-35-16(2)30/h10-11,15,21-26H,12-14H2,1-9H3/b11-10+/t15?,21?,22-,23-,24+,25-,26-,28?,29?/m0/s1 |
| InChIKey | DMXMFNXPJXEPGD-GZVGBMBTSA-N |
| Mol Weight | 598.6 g/mol |
| Molecular Formula | C29H42O13 |
| Exact Mass | 598.262541 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8N4uJ1RkX7t |
|---|---|
| Name | 3-HYDROXY-5,6-EPOXY-BETA-IONYL-BETA-D-GLUCOPYRANOSIDE-PERACETYLATED |
| Compound Number | 7A-PENTAACETATE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H42O13 |
| InChI | InChI=1S/C29H42O13/c1-15(10-11-29-27(7,8)12-21(37-17(3)31)13-28(29,9)42-29)36-26-25(40-20(6)34)24(39-19(5)33)23(38-18(4)32)22(41-26)14-35-16(2)30/h10-11,15,21-26H,12-14H2,1-9H3/b11-10+/t15?,21?,22-,23-,24+,25-,26-,28?,29?/m0/s1 |
| InChIKey | DMXMFNXPJXEPGD-GZVGBMBTSA-N |
| Literature Reference Author | H.DIETZ,P.WINTERHALTER |
| Literature Reference Citation | PHYTOCHEM.,42,1005(1996) |
| Literature Reference DOI | 10.1016/0031-9422(96)00020-9 |
| Molecular Weight | 598.645 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU3669 |