| SpectraBase Compound ID | B2Nzv6V3VJ4 |
|---|---|
| InChI | InChI=1S/C46H74O16/c1-10-22(2)41(52)61-39-25(5)58-43(37(51)40(39)55-9)62-38-24(4)56-33(20-31(38)54-8)59-27-13-16-44(6)26(19-27)11-12-30-29(44)14-17-45(7)28(15-18-46(30,45)53)23(3)57-42-36(50)35(49)34(48)32(21-47)60-42/h10-11,23-25,27-40,42-43,47-51,53H,12-21H2,1-9H3/b22-10+/t23-,24+,25-,27-,28+,29-,30+,31+,32-,33-,34-,35+,36-,37-,38+,39-,40-,42-,43+,44-,45+,46-/m0/s1 |
| InChIKey | FHZHKEJAKJRSML-YNUAJZOHSA-N |
| Mol Weight | 883.1 g/mol |
| Molecular Formula | C46H74O16 |
| Exact Mass | 882.497686 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4H50WdEzDxS |
|---|---|
| Name | HOODIGOSIDE-V;CALOGENIN-20-O-BETA-D-GLUCOPYRANOSYL-3-O-BETA-(4-O-TIGLOYL)-D-THEVETOPYRANOSYL-(1->4)-BETA-D-OLEANDROPYRANOSIDE |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H74O16 |
| InChI | InChI=1S/C46H74O16/c1-10-22(2)41(52)61-39-25(5)58-43(37(51)40(39)55-9)62-38-24(4)56-33(20-31(38)54-8)59-27-13-16-44(6)26(19-27)11-12-30-29(44)14-17-45(7)28(15-18-46(30,45)53)23(3)57-42-36(50)35(49)34(48)32(21-47)60-42/h10-11,23-25,27-40,42-43,47-51,53H,12-21H2,1-9H3/b22-10+/t23-,24+,25-,27-,28+,29-,30+,31+,32-,33-,34-,35+,36-,37-,38+,39-,40-,42-,43+,44-,45+,46-/m0/s1 |
| InChIKey | FHZHKEJAKJRSML-YNUAJZOHSA-N |
| Literature Reference Author | Y.J.SHUKLA,R.S.PAWAR,Y.DING,X.C.LI,D.FERREIRA,I.A.KHAN |
| Literature Reference Citation | PHYTOCHEM.,70,675(2009) |
| Literature Reference DOI | 10.1016/j.phytochem.2009.02.006 |
| Molecular Weight | 883.084 g/mol |
| Sample ID | 64650 |
| Solvent | C5D5N |