| SpectraBase Compound ID | 3kLFUMwuAWV |
|---|---|
| InChI | InChI=1S/C58H94O28/c1-21-32(66)35(69)38(72)48(79-21)83-43-28(64)19-77-47(41(43)75)82-42-22(2)80-49(40(74)37(42)71)84-44-33(67)27(63)18-78-51(44)86-52(76)58-12-11-53(3,4)13-24(58)23-9-10-30-54(5)14-26(62)46(85-50-39(73)36(70)34(68)29(17-59)81-50)55(6,20-60)45(54)25(61)15-57(30,8)56(23,7)16-31(58)65/h9,21-22,24-51,59-75H,10-20H2,1-8H3/t21-,22+,24+,25-,26+,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+,54-,55+,56-,57-,58-/m1/s1 |
| InChIKey | SHKGFTXUBGNKSG-VCVANZNZSA-N |
| Mol Weight | 1239.4 g/mol |
| Molecular Formula | C58H94O28 |
| Exact Mass | 1238.593162 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 244WKm7e2Bs |
|---|---|
| Name | 16-ALPHA-HYDROXY_MI-SAPONIN_A;3-O-BETA-D-GLUCOPYRANOSYL-2-BETA,3-BETA,6-BETA,16-ALPHA,23-PENTAHYDROXYOLEAN-12-EN-28-OIC_ACID_28-O-ALPHA-L-RHAMNO |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C58H94O28 |
| InChI | InChI=1S/C58H94O28/c1-21-32(66)35(69)38(72)48(79-21)83-43-28(64)19-77-47(41(43)75)82-42-22(2)80-49(40(74)37(42)71)84-44-33(67)27(63)18-78-51(44)86-52(76)58-12-11-53(3,4)13-24(58)23-9-10-30-54(5)14-26(62)46(85-50-39(73)36(70)34(68)29(17-59)81-50)55(6,20-60)45(54)25(61)15-57(30,8)56(23,7)16-31(58)65/h9,21-22,24-51,59-75H,10-20H2,1-8H3/t21-,22+,24+,25-,26+,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+,54-,55+,56-,57-,58-/m1/s1 |
| InChIKey | SHKGFTXUBGNKSG-VCVANZNZSA-N |
| Literature Reference Author | S.K.NIGAM,X.C.LI,D.Z.WANG,G.MISRA,C.R.YANG |
| Literature Reference Citation | PHYTOCHEM.,31,3169(1992) |
| Literature Reference DOI | 10.1016/0031-9422(92)83468-E |
| Molecular Weight | 1239.368 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ21458 |