| SpectraBase Compound ID | 729exFaTwdQ |
|---|---|
| InChI | InChI=1S/C65H106O31/c1-24-36(71)40(75)45(80)54(86-24)95-52-48(83)50(93-53-44(79)37(72)28(69)23-85-53)31(22-68)90-57(52)91-35-13-14-62(7)32(61(35,5)6)12-15-63(8)33(62)11-10-26-27-18-60(3,4)16-17-65(27,34(70)19-64(26,63)9)59(84)96-58-51(42(77)39(74)30(21-67)89-58)94-55-47(82)43(78)49(25(2)87-55)92-56-46(81)41(76)38(73)29(20-66)88-56/h10,24-25,27-58,66-83H,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-,58-,62-,63+,64+,65+/m0/s1 |
| InChIKey | AYYLWNDUOGPVDY-VKWMMHTKSA-N |
| Mol Weight | 1383.5 g/mol |
| Molecular Formula | C65H106O31 |
| Exact Mass | 1382.671807 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B7BCRMBvhpg |
|---|---|
| Name | HELIANTHOSIDE-3 |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C65H106O31 |
| InChI | InChI=1S/C65H106O31/c1-24-36(71)40(75)45(80)54(86-24)95-52-48(83)50(93-53-44(79)37(72)28(69)23-85-53)31(22-68)90-57(52)91-35-13-14-62(7)32(61(35,5)6)12-15-63(8)33(62)11-10-26-27-18-60(3,4)16-17-65(27,34(70)19-64(26,63)9)59(84)96-58-51(42(77)39(74)30(21-67)89-58)94-55-47(82)43(78)49(25(2)87-55)92-56-46(81)41(76)38(73)29(20-66)88-56/h10,24-25,27-58,66-83H,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-,58-,62-,63+,64+,65+/m0/s1 |
| InChIKey | AYYLWNDUOGPVDY-VKWMMHTKSA-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 | 1383.538 g/mol |
| Solvent | CD3OD |
| Source File Reference | UIAP201 |