| SpectraBase Compound ID | KwIAvdg6fzS |
|---|---|
| InChI | InChI=1S/C36H56O7/c1-20(2)21(3)9-10-22(31(41)43-32-30(40)29(39)26(37)19-42-32)23-13-17-36(8)25-11-12-27-33(4,5)28(38)15-16-34(27,6)24(25)14-18-35(23,36)7/h20,22-23,26-27,29-30,32,37,39-40H,3,9-19H2,1-2,4-8H3/t22-,23+,26+,27-,29-,30+,32-,34+,35+,36-/m0/s1 |
| InChIKey | CLWQVULZKKQARP-TWHCTVTMSA-N |
| Mol Weight | 600.8 g/mol |
| Molecular Formula | C36H56O7 |
| Exact Mass | 600.402604 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 52MOOXpKBi9 |
|---|---|
| Name | FOMITOSIDE-D;3-OXOLANOST-8,24(31)-DIEN-21-OIC-ACID-21-O-BETA-D-XYLOPYRANOSIDE |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H56O7 |
| InChI | InChI=1S/C36H56O7/c1-20(2)21(3)9-10-22(31(41)43-32-30(40)29(39)26(37)19-42-32)23-13-17-36(8)25-11-12-27-33(4,5)28(38)15-16-34(27,6)24(25)14-18-35(23,36)7/h20,22-23,26-27,29-30,32,37,39-40H,3,9-19H2,1-2,4-8H3/t22-,23+,26+,27-,29-,30+,32-,34+,35+,36-/m0/s1 |
| InChIKey | CLWQVULZKKQARP-TWHCTVTMSA-N |
| Literature Reference Author | K.YOSHIKAWA,M.INOUE,Y.MATSUMOTO,C.SAKAKIBARA,H.MIYATAKA,H.MA TSUMOTO,S.ARIHARA |
| Literature Reference Citation | J.NAT.PROD.,68,69(2005) |
| Literature Reference DOI | 10.1021/np040130b |
| Molecular Weight | 600.836 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ8433 |