| SpectraBase Compound ID | 8hiGDW6y2cg |
|---|---|
| InChI | InChI=1S/C50H72O15/c1-27(51)34-18-21-50(56)48(34,6)39(63-40(53)15-14-31-12-10-9-11-13-31)26-38-47(5)19-17-33(22-32(47)16-20-49(38,50)55)62-41-23-35(52)45(29(3)60-41)64-43-25-37(58-8)46(30(4)61-43)65-42-24-36(57-7)44(54)28(2)59-42/h9-16,28-30,33-39,41-46,52,54-56H,17-26H2,1-8H3/b15-14+/t28-,29+,30+,33+,34+,35-,36+,37+,38-,39-,41-,42+,43-,44-,45+,46+,47+,48+,49+,50-/m1/s1 |
| InChIKey | AXYIMOZFUDYWPA-HSYDWGIMSA-N |
| Mol Weight | 913.1 g/mol |
| Molecular Formula | C50H72O15 |
| Exact Mass | 912.487122 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7n8wIkXxUCf |
|---|---|
| Name | SYRIACOSIDE-C;IKEMAGENIN-3-O-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA-D-OLEANDROPYRANOSYL-(1->4)-BETA-D-DIGITOXOPYRANOSIDE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H72O15 |
| InChI | InChI=1S/C50H72O15/c1-27(51)34-18-21-50(56)48(34,6)39(63-40(53)15-14-31-12-10-9-11-13-31)26-38-47(5)19-17-33(22-32(47)16-20-49(38,50)55)62-41-23-35(52)45(29(3)60-41)64-43-25-37(58-8)46(30(4)61-43)65-42-24-36(57-7)44(54)28(2)59-42/h9-16,28-30,33-39,41-46,52,54-56H,17-26H2,1-8H3/b15-14+/t28-,29+,30+,33+,34+,35-,36+,37+,38-,39-,41-,42+,43-,44-,45+,46+,47+,48+,49+,50-/m1/s1 |
| InChIKey | AXYIMOZFUDYWPA-HSYDWGIMSA-N |
| Literature Reference Author | T.WARASHINA,T.NORO |
| Literature Reference Citation | CHEM.PHARM.BULL.,57,177(2009) |
| Literature Reference DOI | 10.1248/cpb.57.177 |
| Molecular Weight | 913.113 g/mol |
| Sample ID | 2236 |
| Solvent | CDCl3 |