| SpectraBase Compound ID | KaIZhE1QSPk |
|---|---|
| InChI | InChI=1S/C64H104O30/c1-24-36(70)40(74)44(78)53(85-24)93-51-47(81)49(91-52-43(77)37(71)28(67)22-83-52)31(21-66)88-57(51)89-35-13-14-61(7)32(60(35,5)6)12-15-62(8)33(61)11-10-26-27-18-59(3,4)16-17-64(27,34(69)19-63(26,62)9)58(82)94-56-50(38(72)29(68)23-84-56)92-54-46(80)42(76)48(25(2)86-54)90-55-45(79)41(75)39(73)30(20-65)87-55/h10,24-25,27-57,65-81H,11-23H2,1-9H3/t24-,25-,27?,28+,29-,30-,31+,32?,33?,34+,35-,36-,37-,38-,39-,40+,41+,42-,43+,44+,45-,46+,47-,48-,49+,50+,51+,52-,53+,54+,55+,56+,57-,61-,62+,63+,64+/m0/s1 |
| InChIKey | JYJQDEJTMZLRDG-WLPJPEJISA-N |
| Mol Weight | 1353.5 g/mol |
| Molecular Formula | C64H104O30 |
| Exact Mass | 1352.661242 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Dbt0lYh5swi |
|---|---|
| Name | HELIANTHOSIDE-2 |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C64H104O30 |
| InChI | InChI=1S/C64H104O30/c1-24-36(70)40(74)44(78)53(85-24)93-51-47(81)49(91-52-43(77)37(71)28(67)22-83-52)31(21-66)88-57(51)89-35-13-14-61(7)32(60(35,5)6)12-15-62(8)33(61)11-10-26-27-18-59(3,4)16-17-64(27,34(69)19-63(26,62)9)58(82)94-56-50(38(72)29(68)23-84-56)92-54-46(80)42(76)48(25(2)86-54)90-55-45(79)41(75)39(73)30(20-65)87-55/h10,24-25,27-57,65-81H,11-23H2,1-9H3/t24-,25-,27?,28+,29-,30-,31+,32?,33?,34+,35-,36-,37-,38-,39-,40+,41+,42-,43+,44+,45-,46+,47-,48-,49+,50+,51+,52-,53+,54+,55+,56+,57-,61-,62+,63+,64+/m0/s1 |
| InChIKey | JYJQDEJTMZLRDG-WLPJPEJISA-N |
| Literature Reference Author | G.BADER,M.ZIESCHANG,K.WAGNER,E.GRUENDEMANN,K.HILLER |
| Literature Reference Citation | PLANTA.MED.,57,471(1991) |
| Literature Reference DOI | 10.1055/s-2006-960154 |
| Molecular Weight | 1353.512 g/mol |
| Solvent | CD3OD |
| Source File Reference | UIAP202 |