| SpectraBase Compound ID | 9ng1w9zUJeY |
|---|---|
| InChI | InChI=1S/C77H120O42/c1-14-29-50(30-27-25-23-21-19-17-15-16-18-20-22-24-26-28-31-97-33-56(72(95)96)102-42(6)83)110-74-65(118-76-69(108-48(12)89)66(105-45(9)86)62(103-43(7)84)53(113-76)35-99-39(3)80)60(94)61(51(32-78)111-74)116-75-70(109-49(13)90)68(107-47(11)88)64(55(115-75)37-101-41(5)82)117-77-71(119-73-59(93)58(92)57(91)52(112-73)34-98-38(2)79)67(106-46(10)87)63(104-44(8)85)54(114-77)36-100-40(4)81/h50-71,73-78,91-94H,14-37H2,1-13H3,(H,95,96)/t50-,51-,52+,53-,54+,55-,56+,57+,58-,59+,60+,61-,62-,63+,64-,65-,66+,67-,68+,69-,70-,71+,73-,74-,75+,76+,77-/m0/s1 |
| InChIKey | DXDVXLLFEFFVGF-WMUGOYDASA-N |
| Mol Weight | 1717.8 g/mol |
| Molecular Formula | C77H120O42 |
| Exact Mass | 1716.725418 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CCnIlyfUcAL |
|---|---|
| Name | AGMINOSIDE_E |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C77H120O42 |
| InChI | InChI=1S/C77H120O42/c1-14-29-50(30-27-25-23-21-19-17-15-16-18-20-22-24-26-28-31-97-33-56(72(95)96)102-42(6)83)110-74-65(118-76-69(108-48(12)89)66(105-45(9)86)62(103-43(7)84)53(113-76)35-99-39(3)80)60(94)61(51(32-78)111-74)116-75-70(109-49(13)90)68(107-47(11)88)64(55(115-75)37-101-41(5)82)117-77-71(119-73-59(93)58(92)57(91)52(112-73)34-98-38(2)79)67(106-46(10)87)63(104-44(8)85)54(114-77)36-100-40(4)81/h50-71,73-78,91-94H,14-37H2,1-13H3,(H,95,96)/t50-,51-,52+,53-,54+,55-,56+,57+,58-,59+,60+,61-,62-,63+,64-,65-,66+,67-,68+,69-,70-,71+,73-,74-,75+,76+,77-/m0/s1 |
| InChIKey | DXDVXLLFEFFVGF-WMUGOYDASA-N |
| Literature Reference Author | J.M.WOJNAR,P.T.NORTHCOTE |
| Literature Reference Citation | J.NAT.PROD.,74,69(2011) |
| Literature Reference DOI | 10.1021/np100710c |
| Molecular Weight | 1717.775 g/mol |
| Sample ID | 37684 |
| Solvent | CD3OD |