| SpectraBase Compound ID | KIJtmGHf6a9 |
|---|---|
| InChI | InChI=1S/C50H80O21/c1-20-8-13-50(63-18-20)21(2)32-29(71-50)15-27-25-7-6-23-14-24(9-11-48(23,4)26(25)10-12-49(27,32)5)65-47-43(70-45-38(59)36(57)33(54)22(3)64-45)39(60)41(31(17-52)67-47)68-46-40(61)42(35(56)30(16-51)66-46)69-44-37(58)34(55)28(53)19-62-44/h6,20-22,24-47,51-61H,7-19H2,1-5H3/t20-,21-,22-,24-,25+,26-,27-,28+,29-,30+,31+,32-,33-,34-,35+,36+,37+,38+,39-,40+,41+,42-,43+,44-,45-,46-,47+,48-,49-,50+/m0/s1 |
| InChIKey | DYAJQSYEQXVRFW-RAEGJVERSA-N |
| Mol Weight | 1017.2 g/mol |
| Molecular Formula | C50H80O21 |
| Exact Mass | 1016.51921 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6kM5pc0xJ4s |
|---|---|
| Name | BALANITIN-7;DIOSGENIN-GLUCOPYRANOSIDE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H80O21 |
| InChI | InChI=1S/C50H80O21/c1-20-8-13-50(63-18-20)21(2)32-29(71-50)15-27-25-7-6-23-14-24(9-11-48(23,4)26(25)10-12-49(27,32)5)65-47-43(70-45-38(59)36(57)33(54)22(3)64-45)39(60)41(31(17-52)67-47)68-46-40(61)42(35(56)30(16-51)66-46)69-44-37(58)34(55)28(53)19-62-44/h6,20-22,24-47,51-61H,7-19H2,1-5H3/t20-,21-,22-,24-,25+,26-,27-,28+,29-,30+,31+,32-,33-,34-,35+,36+,37+,38+,39-,40+,41+,42-,43+,44-,45-,46-,47+,48-,49-,50+/m0/s1 |
| InChIKey | DYAJQSYEQXVRFW-RAEGJVERSA-N |
| Literature Reference Author | G.R.PETTIT,D.L.DOUBEK,D.L.HERALD,A.NUMATA,C.TAKAHASHI,R.FUJI KI,T.MIYAMOTO |
| Literature Reference Citation | J.NAT.PROD.,54,1491(1991) |
| Literature Reference DOI | 10.1021/np50078a002 |
| Molecular Weight | 1017.173 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWED18157 |