| SpectraBase Compound ID | 1wU6RR8mmKq |
|---|---|
| InChI | InChI=1S/C29H42O13/c1-15(36-17(3)31)10-11-29-27(7,8)12-21(13-28(29,9)42-29)40-26-25(39-20(6)34)24(38-19(5)33)23(37-18(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 | RQMRRSPFDIYLRD-XIHNJMKJSA-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 | KamrQkQ9yo1 |
|---|---|
| Name | ALANGIONOSIDE-E-PENTAACETATE |
| Compound Number | 11 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H42O13 |
| InChI | InChI=1S/C29H42O13/c1-15(36-17(3)31)10-11-29-27(7,8)12-21(13-28(29,9)42-29)40-26-25(39-20(6)34)24(38-19(5)33)23(37-18(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 | RQMRRSPFDIYLRD-XIHNJMKJSA-N |
| Literature Reference Author | H.OTSUKA,K.KAMADA,M.YAO,K.YUASA,I.KIDA,Y.TAKEDA |
| Literature Reference Citation | PHYTOCHEM.,38,1431(1995) |
| Literature Reference DOI | 10.1016/0031-9422(94)00830-M |
| Molecular Weight | 598.645 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMS4025 |