| SpectraBase Compound ID | 9N1DAiCLP7p |
|---|---|
| InChI | InChI=1S/C35H54O8/c1-31(2,41)15-8-9-20(29(40)43-30-28(39)27(38)24(36)19-42-30)21-12-17-35(7)23-10-11-25-32(3,4)26(37)14-16-33(25,5)22(23)13-18-34(21,35)6/h8,15,20-21,24-25,27-28,30,36,38-39,41H,9-14,16-19H2,1-7H3/b15-8+/t20-,21+,24+,25-,27-,28+,30-,33+,34+,35-/m0/s1 |
| InChIKey | BGFUPUXPMBXGKR-WGAVFOQDSA-N |
| Mol Weight | 602.8 g/mol |
| Molecular Formula | C35H54O8 |
| Exact Mass | 602.381869 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4hiMcvcS8Qo |
|---|---|
| Name | FOMITOSIDE-A;25-HYDROXY-3-OXOLANOSTA-8,23-DIEN-21-OIC-ACID-21-O-BETA-D-XYLOPYRANOSIDE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H54O8 |
| InChI | InChI=1S/C35H54O8/c1-31(2,41)15-8-9-20(29(40)43-30-28(39)27(38)24(36)19-42-30)21-12-17-35(7)23-10-11-25-32(3,4)26(37)14-16-33(25,5)22(23)13-18-34(21,35)6/h8,15,20-21,24-25,27-28,30,36,38-39,41H,9-14,16-19H2,1-7H3/b15-8+/t20-,21+,24+,25-,27-,28+,30-,33+,34+,35-/m0/s1 |
| InChIKey | BGFUPUXPMBXGKR-WGAVFOQDSA-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 | 602.809 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ8430 |