| SpectraBase Compound ID | 8qmgDhxG8Bc |
|---|---|
| InChI | InChI=1S/C94H134O41/c1-27-42(4)81(108)117-45(7)44(6)83(110)131-69-60(127-82(109)43(5)28-2)40-115-85(75(69)123-54(16)103)135-79-80(126-57(19)106)94(41-116-48(10)97)59(36-89(79,20)21)58-30-31-64-91(24)34-33-66(90(22,23)63(91)32-35-92(64,25)93(58,26)37-65(94)107)130-88-78(134-87-77(125-56(18)105)71(121-52(14)101)68(119-50(12)99)62(129-87)39-114-47(9)96)73(72(122-53(15)102)74(133-88)84(111)112-29-3)132-86-76(124-55(17)104)70(120-51(13)100)67(118-49(11)98)61(128-86)38-113-46(8)95/h27-28,30,44-45,59-80,85-88,107H,29,31-41H2,1-26H3/b42-27+,43-28+/t44?,45?,59-,60+,61+,62-,63+,64-,65-,66+,67-,68+,69+,70-,71+,72-,73-,74-,75-,76+,77-,78+,79+,80+,85+,86-,87+,88+,91+,92-,93-,94+/m1/s1 |
| InChIKey | LZOJUQHMGMVXHO-FOOJUAGXSA-N |
| Mol Weight | 1920.1 g/mol |
| Molecular Formula | C94H134O41 |
| Exact Mass | 1918.840054 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7dOo7uSJsE7 |
|---|---|
| Name | PETERSAPONIN-I |
| Compound Number | 3A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C94H134O41 |
| InChI | InChI=1S/C94H134O41/c1-27-42(4)81(108)117-45(7)44(6)83(110)131-69-60(127-82(109)43(5)28-2)40-115-85(75(69)123-54(16)103)135-79-80(126-57(19)106)94(41-116-48(10)97)59(36-89(79,20)21)58-30-31-64-91(24)34-33-66(90(22,23)63(91)32-35-92(64,25)93(58,26)37-65(94)107)130-88-78(134-87-77(125-56(18)105)71(121-52(14)101)68(119-50(12)99)62(129-87)39-114-47(9)96)73(72(122-53(15)102)74(133-88)84(111)112-29-3)132-86-76(124-55(17)104)70(120-51(13)100)67(118-49(11)98)61(128-86)38-113-46(8)95/h27-28,30,44-45,59-80,85-88,107H,29,31-41H2,1-26H3/b42-27+,43-28+/t44?,45?,59-,60+,61+,62-,63+,64-,65-,66+,67-,68+,69+,70-,71+,72-,73-,74-,75-,76+,77-,78+,79+,80+,85+,86-,87+,88+,91+,92-,93-,94+/m1/s1 |
| InChIKey | LZOJUQHMGMVXHO-FOOJUAGXSA-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 | 1920.073 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMS27188 |