| SpectraBase Compound ID | 6ptMSJr750v |
|---|---|
| InChI | InChI=1S/C48H78O17/c1-22-31(52)33(54)37(58)41(61-22)65-39-26(20-60-40-36(57)34(55)32(53)25(19-49)62-40)63-42(38(59)35(39)56)64-30-12-13-45(6)27(44(30,4)5)11-14-46(7)28(45)10-9-23-24-17-43(2,3)15-16-48(24,21-50)29(51)18-47(23,46)8/h9-10,22,24-27,29-42,49-59H,11-21H2,1-8H3/t22?,24-,25?,26?,27?,29-,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41?,42?,45?,46?,47+,48+/m1/s1 |
| InChIKey | CMCKJNVAUXCQCZ-IBVGEOQESA-N |
| Mol Weight | 927.1 g/mol |
| Molecular Formula | C48H78O17 |
| Exact Mass | 926.523901 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8NwJ7IfWs1l |
|---|---|
| Name | Saikosaponin-I |
| Comments | broad-band decoupling (BB) |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C48H78O17 |
| InChI | InChI=1S/C48H78O17/c1-22-31(52)33(54)37(58)41(61-22)65-39-26(20-60-40-36(57)34(55)32(53)25(19-49)62-40)63-42(38(59)35(39)56)64-30-12-13-45(6)27(44(30,4)5)11-14-46(7)28(45)10-9-23-24-17-43(2,3)15-16-48(24,21-50)29(51)18-47(23,46)8/h9-10,22,24-27,29-42,49-59H,11-21H2,1-8H3/t22?,24-,25?,26?,27?,29-,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41?,42?,45?,46?,47+,48+/m1/s1 |
| InChIKey | CMCKJNVAUXCQCZ-IBVGEOQESA-N |
| Instrument Name | SF = 100 MHz |
| Literature Reference | Chem. Pharm. Bull. 33, 3349 (1985). |
| NMR Standard | not reported |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | Pyridine-D5 |