| SpectraBase Compound ID | I8ULw2zVfJV |
|---|---|
| InChI | InChI=1S/C29H42O9/c1-16-25(33)22(31)12-24(37-16)38-18-3-8-27(15-30)20-4-7-26(2)19(17-11-23(32)36-14-17)6-10-29(26,35)21(20)5-9-28(27,34)13-18/h11,15-16,18-22,24-25,31,33-35H,3-10,12-14H2,1-2H3/t16-,18+,19-,20?,21?,22+,24+,25-,26-,27+,28+,29+/m1/s1 |
| InChIKey | QBILRDAMJUPXCX-GRHSUSSXSA-N |
| Mol Weight | 534.6 g/mol |
| Molecular Formula | C29H42O9 |
| Exact Mass | 534.282883 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FvXSq9VvjP5 |
|---|---|
| Name | HELVETICOSIDE;STROPHANTHIDIN-3-O-BETA-D-DIGITOXOPYRANOSIDE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H42O9 |
| InChI | InChI=1S/C29H42O9/c1-16-25(33)22(31)12-24(37-16)38-18-3-8-27(15-30)20-4-7-26(2)19(17-11-23(32)36-14-17)6-10-29(26,35)21(20)5-9-28(27,34)13-18/h11,15-16,18-22,24-25,31,33-35H,3-10,12-14H2,1-2H3/t16-,18+,19-,20?,21?,22+,24+,25-,26-,27+,28+,29+/m1/s1 |
| InChIKey | QBILRDAMJUPXCX-GRHSUSSXSA-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 | 534.647 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU887 |