| SpectraBase Compound ID | 6m4GmQekoQ6 |
|---|---|
| InChI | InChI=1S/C51H76O17/c1-27-41(54)45(61-9)42(55)46(64-27)68-44-29(3)63-40(25-35(44)60-8)67-43-28(2)62-39(24-34(43)59-7)65-33-18-19-47(5)32(23-33)17-20-50(57)36(47)26-37(66-38(53)16-15-31-13-11-10-12-14-31)48(6)49(56,30(4)52)21-22-51(48,50)58/h10-17,27-30,33-37,39-46,52,54-58H,18-26H2,1-9H3/b16-15+/t27-,28-,29+,30?,33+,34+,35-,36?,37-,39+,40-,41-,42-,43-,44+,45+,46+,47+,48-,49-,50+,51+/m1/s1 |
| InChIKey | XLVYFAXXHUCCDJ-MSHIISOFSA-N |
| Mol Weight | 961.2 g/mol |
| Molecular Formula | C51H76O17 |
| Exact Mass | 960.508251 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E6XSmh3tMYe |
|---|---|
| Name | SINOMARINOSIDE_B;PENUPOGENIN_3-O-BETA-D-THEVETOPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSIDE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C51H76O17 |
| InChI | InChI=1S/C51H76O17/c1-27-41(54)45(61-9)42(55)46(64-27)68-44-29(3)63-40(25-35(44)60-8)67-43-28(2)62-39(24-34(43)59-7)65-33-18-19-47(5)32(23-33)17-20-50(57)36(47)26-37(66-38(53)16-15-31-13-11-10-12-14-31)48(6)49(56,30(4)52)21-22-51(48,50)58/h10-17,27-30,33-37,39-46,52,54-58H,18-26H2,1-9H3/b16-15+/t27-,28-,29+,30?,33+,34+,35-,36?,37-,39+,40-,41-,42-,43-,44+,45+,46+,47+,48-,49-,50+,51+/m1/s1 |
| InChIKey | XLVYFAXXHUCCDJ-MSHIISOFSA-N |
| Literature Reference Author | J.J.CHEN,Z.X.ZHANG,J.ZHOU,B.T.LI |
| Literature Reference Citation | J.NAT.PROD.,62,829(1999) |
| Literature Reference DOI | 10.1021/np9804684 |
| Molecular Weight | 961.154 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ2629 |