| SpectraBase Compound ID | KxfjStd3Gje |
|---|---|
| InChI | InChI=1S/C36H54O14/c1-18-31(50-32-30(42)29(41)28(40)25(15-37)49-32)24(45-3)13-27(47-18)48-20-4-9-34(17-38)22-5-8-33(2)21(19-12-26(39)46-16-19)7-11-36(33,44)23(22)6-10-35(34,43)14-20/h12,17-18,20-25,27-32,37,40-44H,4-11,13-16H2,1-3H3/t18-,20+,21-,22?,23?,24-,25+,27+,28+,29-,30+,31+,32-,33-,34+,35+,36+/m1/s1 |
| InChIKey | FHIREUBIEIPPMC-KXTCUDBISA-N |
| Mol Weight | 710.8 g/mol |
| Molecular Formula | C36H54O14 |
| Exact Mass | 710.351356 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7BWED5AYt5B |
|---|---|
| Name | ADONIOSIDE-B;STROPHANTHIDIN-3-O-BETA-D-DIGINOPYRANOSYL-(1->4)-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H54O14 |
| InChI | InChI=1S/C36H54O14/c1-18-31(50-32-30(42)29(41)28(40)25(15-37)49-32)24(45-3)13-27(47-18)48-20-4-9-34(17-38)22-5-8-33(2)21(19-12-26(39)46-16-19)7-11-36(33,44)23(22)6-10-35(34,43)14-20/h12,17-18,20-25,27-32,37,40-44H,4-11,13-16H2,1-3H3/t18-,20+,21-,22?,23?,24-,25+,27+,28+,29-,30+,31+,32-,33-,34+,35+,36+/m1/s1 |
| InChIKey | FHIREUBIEIPPMC-KXTCUDBISA-N |
| Literature Reference Author | J.W.JUNG,N.I.BAEK,J.HWANG-BO,S.S.LEE,J.H.PARK,K.H.SEO,J.H.KW ON,E.J.OH,D.Y.LEE,I. |
| Literature Reference Citation | MOLECULES,20,20823(2015) |
| Literature Reference DOI | 10.3390/molecules201119722 |
| Molecular Weight | 710.816 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWPA6113 |