| SpectraBase Compound ID | FuC3kQCD5e7 |
|---|---|
| InChI | InChI=1S/C35H54O13/c1-17-30(48-31-29(41)28(40)27(39)24(15-36)47-31)23(37)13-26(45-17)46-19-4-8-32(2)21-5-9-33(3)20(18-12-25(38)44-16-18)7-11-35(33,43)22(21)6-10-34(32,42)14-19/h12,17,19-24,26-31,36-37,39-43H,4-11,13-16H2,1-3H3/t17-,19-,20+,21?,22?,23+,24-,26+,27-,28+,29-,30-,31+,32+,33+,34-,35-/m0/s1 |
| InChIKey | ZOSJMTBTUZXPSR-IXORTGJPSA-N |
| Mol Weight | 682.8 g/mol |
| Molecular Formula | C35H54O13 |
| Exact Mass | 682.356442 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3iKZAIb0GSJ |
|---|---|
| Name | ZOSJMTBTUZXPSR-IXORTGJPSA-N |
| Compound Number | PERIPLOGENIN-3-O-BETA-D-GLUCOPYRANOSYL-(1->4)-O-BETA- D-DIGITOXOPYRANOSIDE-##6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H54O13 |
| InChI | InChI=1S/C35H54O13/c1-17-30(48-31-29(41)28(40)27(39)24(15-36)47-31)23(37)13-26(45-17)46-19-4-8-32(2)21-5-9-33(3)20(18-12-25(38)44-16-18)7-11-35(33,43)22(21)6-10-34(32,42)14-19/h12,17,19-24,26-31,36-37,39-43H,4-11,13-16H2,1-3H3/t17-,19-,20+,21?,22?,23+,24-,26+,27-,28+,29-,30-,31+,32+,33+,34-,35-/m0/s1 |
| InChIKey | ZOSJMTBTUZXPSR-IXORTGJPSA-N |
| Literature Reference Author | T.NAKAMURA,Y.GODA,S.SAKAI,K.KONDO,H.AKIYAMA,M.TOYODA |
| Literature Reference Citation | PHYTOCHEM.,49,2097(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(98)00421-X |
| Molecular Weight | 682.806 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU889 |