| SpectraBase Compound ID | DTO8z540NZO |
|---|---|
| InChI | InChI=1S/C51H82O18/c1-25-44(54)35(57-9)21-41(61-25)67-46-27(3)63-43(23-37(46)59-11)69-47-28(4)64-42(24-38(47)60-12)68-45-26(2)62-40(22-36(45)58-10)66-32-15-16-48(7)31(19-32)13-14-33-34(48)20-39(65-30(6)53)49(8)50(55,29(5)52)17-18-51(33,49)56/h13,25-28,32-47,54-56H,14-24H2,1-12H3/t25-,26+,27+,28-,32-,33+,34-,35-,36-,37+,38+,39+,40-,41+,42+,43-,44-,45+,46+,47-,48-,49+,50+,51-/m0/s1 |
| InChIKey | CRVFAQPOAZPTJB-DIWDBXAESA-N |
| Mol Weight | 983.2 g/mol |
| Molecular Formula | C51H82O18 |
| Exact Mass | 982.550116 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KZXiYwx1Fli |
|---|---|
| Name | #6;12-O-ACETYL-PERGULARIN-3-O-BETA-D-OLEANDROPYRANOSYL-(1->4)-BETA-D-OLEANDROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSIDE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C51H82O18 |
| InChI | InChI=1S/C51H82O18/c1-25-44(54)35(57-9)21-41(61-25)67-46-27(3)63-43(23-37(46)59-11)69-47-28(4)64-42(24-38(47)60-12)68-45-26(2)62-40(22-36(45)58-10)66-32-15-16-48(7)31(19-32)13-14-33-34(48)20-39(65-30(6)53)49(8)50(55,29(5)52)17-18-51(33,49)56/h13,25-28,32-47,54-56H,14-24H2,1-12H3/t25-,26+,27+,28-,32-,33+,34-,35-,36-,37+,38+,39+,40-,41+,42+,43-,44-,45+,46+,47-,48-,49+,50+,51-/m0/s1 |
| InChIKey | CRVFAQPOAZPTJB-DIWDBXAESA-N |
| Literature Reference Author | T.WARASHINA,T.NORO |
| Literature Reference Citation | CHEM.PHARM.BULL.,46,1752(1998) |
| Literature Reference DOI | 10.1248/cpb.46.1752 |
| Molecular Weight | 983.201 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS20830 |