| SpectraBase Compound ID | 6KTpLTsT8JU |
|---|---|
| InChI | InChI=1S/C81H120O44/c1-22-30-54(31-28-26-24-23-25-27-29-32-57(97)98-21)118-76-73(66(112-48(15)91)60(35(2)101-76)107-43(10)86)125-81-75(69(114-50(17)93)63(109-45(12)88)56(120-81)34-100-40(7)83)124-79-72(117-53(20)96)67(61(38(5)104-79)121-77-70(115-51(18)94)64(110-46(13)89)58(36(3)102-77)105-41(8)84)122-80-74(68(113-49(16)92)62(108-44(11)87)55(119-80)33-99-39(6)82)123-78-71(116-52(19)95)65(111-47(14)90)59(37(4)103-78)106-42(9)85/h35-38,54-56,58-81H,22-34H2,1-21H3/t35-,36+,37-,38+,54-,55-,56-,58-,59-,60-,61+,62-,63-,64-,65+,66+,67-,68+,69+,70+,71-,72-,73-,74-,75-,76+,77-,78+,79+,80+,81+/m0/s1 |
| InChIKey | HFRYRZFPOMFNNJ-AQUJVSODSA-N |
| Mol Weight | 1797.8 g/mol |
| Molecular Formula | C81H120O44 |
| Exact Mass | 1796.715247 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JFS7DaMrbOY |
|---|---|
| Name | HFRYRZFPOMFNNJ-AQUJVSODSA-N |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C81H120O44 |
| InChI | InChI=1S/C81H120O44/c1-22-30-54(31-28-26-24-23-25-27-29-32-57(97)98-21)118-76-73(66(112-48(15)91)60(35(2)101-76)107-43(10)86)125-81-75(69(114-50(17)93)63(109-45(12)88)56(120-81)34-100-40(7)83)124-79-72(117-53(20)96)67(61(38(5)104-79)121-77-70(115-51(18)94)64(110-46(13)89)58(36(3)102-77)105-41(8)84)122-80-74(68(113-49(16)92)62(108-44(11)87)55(119-80)33-99-39(6)82)123-78-71(116-52(19)95)65(111-47(14)90)59(37(4)103-78)106-42(9)85/h35-38,54-56,58-81H,22-34H2,1-21H3/t35-,36+,37-,38+,54-,55-,56-,58-,59-,60-,61+,62-,63-,64-,65+,66+,67-,68+,69+,70+,71-,72-,73-,74-,75-,76+,77-,78+,79+,80+,81+/m0/s1 |
| InChIKey | HFRYRZFPOMFNNJ-AQUJVSODSA-N |
| Literature Reference Author | R.PEREDA-MIRANDA,M.FRAGOSO-SERRANO,E.ESCALANTE-SANCHEZ,B.HER NANDEZ-CARLOS,E.LINA |
| Literature Reference Citation | J.NAT.PROD.,69,1460(2006) |
| Literature Reference DOI | 10.1021/np060295f |
| Molecular Weight | 1797.817 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ17103 |