| SpectraBase Compound ID | 1tbrjy60tZK |
|---|---|
| InChI | InChI=1S/C59H96O25/c1-24-34(62)38(66)42(70)49(77-24)82-46-29(21-60)79-48(45(73)41(46)69)76-23-30-37(65)40(68)44(72)51(80-30)84-53(74)59-18-16-54(3,4)20-27(59)26-10-11-32-56(7)14-13-33(55(5,6)31(56)12-15-58(32,9)57(26,8)17-19-59)81-52-47(36(64)28(61)22-75-52)83-50-43(71)39(67)35(63)25(2)78-50/h10,24-25,27-52,60-73H,11-23H2,1-9H3/t24-,25-,27?,28-,29+,30+,31?,32?,33-,34-,35-,36-,37+,38+,39+,40-,41+,42+,43+,44+,45+,46+,47+,48?,49?,50?,51?,52?,56-,57+,58+,59?/m0/s1 |
| InChIKey | NVSLBOBPSCMMSO-NHIQCHBQSA-N |
| Mol Weight | 1205.4 g/mol |
| Molecular Formula | C59H96O25 |
| Exact Mass | 1204.624069 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3yx2OUc0L9K |
|---|---|
| Name | SAPONIN_PJ3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C59H96O25 |
| InChI | InChI=1S/C59H96O25/c1-24-34(62)38(66)42(70)49(77-24)82-46-29(21-60)79-48(45(73)41(46)69)76-23-30-37(65)40(68)44(72)51(80-30)84-53(74)59-18-16-54(3,4)20-27(59)26-10-11-32-56(7)14-13-33(55(5,6)31(56)12-15-58(32,9)57(26,8)17-19-59)81-52-47(36(64)28(61)22-75-52)83-50-43(71)39(67)35(63)25(2)78-50/h10,24-25,27-52,60-73H,11-23H2,1-9H3/t24-,25-,27?,28-,29+,30+,31?,32?,33-,34-,35-,36-,37+,38+,39+,40-,41+,42+,43+,44+,45+,46+,47+,48?,49?,50?,51?,52?,56-,57+,58+,59?/m0/s1 |
| InChIKey | NVSLBOBPSCMMSO-NHIQCHBQSA-N |
| Literature Reference Author | H.M.ZHONG,C.X.CHEN,X.TIAN,Y.X.CHUI,Y.Z.CHEN |
| Literature Reference Citation | PLANTA.MED.,67,484(2001) |
| Literature Reference DOI | 10.1055/s-2001-15803 |
| Molecular Weight | 1205.396 g/mol |
| Solvent | C5D5N |
| Source File Reference | UIAP1584 |