| SpectraBase Compound ID | BJU5yX4KiSd |
|---|---|
| InChI | InChI=1S/C90H126O43/c1-38-64(118-46(9)97)69(121-49(12)100)74(125-53(16)104)81(112-38)130-68-61(117-45(8)96)36-109-79(72(68)124-52(15)103)129-65-39(2)113-82(75(126-54(17)105)70(65)122-50(13)101)131-73-67(120-48(11)99)60(116-44(7)95)35-110-80(73)133-84(107)90-29-27-85(19,20)31-57(90)56-25-26-63-86(21)32-59(115-43(6)94)78(87(22,37-111-41(4)92)77(86)58(114-42(5)93)33-89(63,24)88(56,23)28-30-90)132-83-76(127-55(18)106)71(123-51(14)102)66(119-47(10)98)62(128-83)34-108-40(3)91/h25,38-39,57-83H,26-37H2,1-24H3/t38-,39+,57+,58-,59+,60-,61+,62-,63-,64-,65+,66-,67+,68-,69+,70-,71+,72+,73-,74+,75-,76-,77-,78+,79-,80+,81-,82+,83+,86?,87+,88?,89?,90+/m1/s1 |
| InChIKey | AWSAKMNZCLJZEC-JCSGTBLQSA-N |
| Mol Weight | 1896.0 g/mol |
| Molecular Formula | C90H126O43 |
| Exact Mass | 1894.767283 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4mbbm1PjBbg |
|---|---|
| Name | SIDEROSXYLOSIDE-A-PERACETATE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C90H126O43 |
| InChI | InChI=1S/C90H126O43/c1-38-64(118-46(9)97)69(121-49(12)100)74(125-53(16)104)81(112-38)130-68-61(117-45(8)96)36-109-79(72(68)124-52(15)103)129-65-39(2)113-82(75(126-54(17)105)70(65)122-50(13)101)131-73-67(120-48(11)99)60(116-44(7)95)35-110-80(73)133-84(107)90-29-27-85(19,20)31-57(90)56-25-26-63-86(21)32-59(115-43(6)94)78(87(22,37-111-41(4)92)77(86)58(114-42(5)93)33-89(63,24)88(56,23)28-30-90)132-83-76(127-55(18)106)71(123-51(14)102)66(119-47(10)98)62(128-83)34-108-40(3)91/h25,38-39,57-83H,26-37H2,1-24H3/t38-,39+,57+,58-,59+,60-,61+,62-,63-,64-,65+,66-,67+,68-,69+,70-,71+,72+,73-,74+,75-,76-,77-,78+,79-,80+,81-,82+,83+,86?,87+,88?,89?,90+/m1/s1 |
| InChIKey | AWSAKMNZCLJZEC-JCSGTBLQSA-N |
| Literature Reference Author | Y.JIANG,A.OULAD,D.GUILLAUME,B.WENIGER,R.ANTON |
| Literature Reference Citation | PHYTOCHEM.,35,1013(1994) |
| Literature Reference DOI | 10.1016/S0031-9422(00)90658-7 |
| Molecular Weight | 1895.965 g/mol |
| Solvent | Unknown |
| Source File Reference | UWMS24420 |