| SpectraBase Compound ID | F1b6DDlxkpG |
|---|---|
| InChI | InChI=1S/C46H76O18/c1-19(59-44-42(39(54)36(51)21(3)60-44)64-43-40(55)38(53)37(52)31(18-47)62-43)34-28(48)15-27-25-9-8-23-14-24(10-12-45(23,5)26(25)11-13-46(27,34)6)61-32-16-29(49)41(22(4)58-32)63-33-17-30(56-7)35(50)20(2)57-33/h8,19-22,24-44,47-55H,9-18H2,1-7H3/t19-,20-,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-/m0/s1 |
| InChIKey | KFTNYGJKLNVOMV-MRNPVJBSSA-N |
| Mol Weight | 917.1 g/mol |
| Molecular Formula | C46H76O18 |
| Exact Mass | 916.503166 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4FXBHEuXCJB |
|---|---|
| Name | BASEONEMOSIDE-C;PREGN-5-EN-3-BETA,16-ALPHA,20S-TRIOL-3-O-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA-D-DIGITOXOPYRANOSIDE-20-O-BETA-D-GLUCOPYRANOSYL-(1->2)- |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H76O18 |
| InChI | InChI=1S/C46H76O18/c1-19(59-44-42(39(54)36(51)21(3)60-44)64-43-40(55)38(53)37(52)31(18-47)62-43)34-28(48)15-27-25-9-8-23-14-24(10-12-45(23,5)26(25)11-13-46(27,34)6)61-32-16-29(49)41(22(4)58-32)63-33-17-30(56-7)35(50)20(2)57-33/h8,19-22,24-44,47-55H,9-18H2,1-7H3/t19-,20-,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-/m0/s1 |
| InChIKey | KFTNYGJKLNVOMV-MRNPVJBSSA-N |
| Literature Reference Author | V.E.RASAMISON,J.Q.CUTRONE,A.L.OKUNADE |
| Literature Reference Citation | FITOTERAPIA,73,442(2002) |
| Literature Reference DOI | 10.1016/S0367-326X(02)00129-6 |
| Molecular Weight | 917.099 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVN4159 |