| SpectraBase Compound ID | 9ytTbl2ooOC |
|---|---|
| InChI | InChI=1S/C89H122O39/c1-23-106-79(105)71-69(117-49(11)98)70(125-81-73(119-51(13)100)67(115-47(9)96)64(112-44(6)93)57(122-81)37-107-41(3)90)75(127-82-74(120-52(14)101)68(116-48(10)97)65(113-45(7)94)58(123-82)38-108-42(4)91)83(126-71)124-62-32-33-86(20)59(85(62,18)19)31-34-87(21)60(86)30-29-55-56-35-84(16,17)76(128-78(104)54-27-25-24-26-28-54)77(121-53(15)102)89(56,61(103)36-88(55,87)22)39-109-80-72(118-50(12)99)66(114-46(8)95)63(40(2)110-80)111-43(5)92/h24-29,40,56-77,80-83,103H,23,30-39H2,1-22H3/t40-,56+,57+,58-,59+,60-,61-,62+,63-,64-,65+,66+,67-,68+,69-,70-,71-,72+,73+,74-,75+,76+,77+,80+,81-,82+,83+,86+,87-,88-,89+/m1/s1 |
| InChIKey | FYAALKZRVPMFGR-XWRXLCONSA-N |
| Mol Weight | 1815.9 g/mol |
| Molecular Formula | C89H122O39 |
| Exact Mass | 1814.756324 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5EtR9Nh5ikH |
|---|---|
| Name | PETERSAPONIN-II |
| Compound Number | 4A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C89H122O39 |
| InChI | InChI=1S/C89H122O39/c1-23-106-79(105)71-69(117-49(11)98)70(125-81-73(119-51(13)100)67(115-47(9)96)64(112-44(6)93)57(122-81)37-107-41(3)90)75(127-82-74(120-52(14)101)68(116-48(10)97)65(113-45(7)94)58(123-82)38-108-42(4)91)83(126-71)124-62-32-33-86(20)59(85(62,18)19)31-34-87(21)60(86)30-29-55-56-35-84(16,17)76(128-78(104)54-27-25-24-26-28-54)77(121-53(15)102)89(56,61(103)36-88(55,87)22)39-109-80-72(118-50(12)99)66(114-46(8)95)63(40(2)110-80)111-43(5)92/h24-29,40,56-77,80-83,103H,23,30-39H2,1-22H3/t40-,56+,57+,58-,59+,60-,61-,62+,63-,64-,65+,66+,67-,68+,69-,70-,71-,72+,73+,74-,75+,76+,77+,80+,81-,82+,83+,86+,87-,88-,89+/m1/s1 |
| InChIKey | FYAALKZRVPMFGR-XWRXLCONSA-N |
| Literature Reference Author | G.MASSIOT,X.F.CHEN,C.LAVAUD,L.L.MEN-OLIVIER,C.DELAUDE,A.VIAR I,P.VIGNY,J.DUVAL |
| Literature Reference Citation | PHYTOCHEM.,31,3571(1992) |
| Literature Reference DOI | 10.1016/0031-9422(92)83729-I |
| Molecular Weight | 1815.924 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMS27189 |