| SpectraBase Compound ID | Gc1mOVy32Z4 |
|---|---|
| InChI | InChI=1S/C37H58O9/c1-21(38)45-28-15-17-35(6)24-14-19-36(7)23(13-18-37(36,8)25(24)11-12-27(35)34(28,4)5)22(10-9-16-33(2,3)43)31(42)46-32-30(41)29(40)26(39)20-44-32/h9,16,22-23,26-30,32,39-41,43H,10-15,17-20H2,1-8H3/b16-9+/t22-,23+,26+,27-,28+,29-,30+,32-,35+,36+,37-/m0/s1 |
| InChIKey | SZJHDEBBAHZWAS-ZKEXNCJWSA-N |
| Mol Weight | 646.9 g/mol |
| Molecular Formula | C37H58O9 |
| Exact Mass | 646.408083 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4uiNw0zhhPR |
|---|---|
| Name | FOMITOSIDE-E;25-HYDROXY-3-ALPHA-ACETOXYLANOST-8-EN-21-OIC-ACID-21-O-BETA-D-XYLOPYRANOSIDE |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H58O9 |
| InChI | InChI=1S/C37H58O9/c1-21(38)45-28-15-17-35(6)24-14-19-36(7)23(13-18-37(36,8)25(24)11-12-27(35)34(28,4)5)22(10-9-16-33(2,3)43)31(42)46-32-30(41)29(40)26(39)20-44-32/h9,16,22-23,26-30,32,39-41,43H,10-15,17-20H2,1-8H3/b16-9+/t22-,23+,26+,27-,28+,29-,30+,32-,35+,36+,37-/m0/s1 |
| InChIKey | SZJHDEBBAHZWAS-ZKEXNCJWSA-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 | 646.862 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ8434 |