![ATRIPLICOSAPONIN-B;17-ALPHA-HYDROXY-URS-12-ENE-3-O-[BETA-D-GLUCOPYRANOSYL-(1->4)-(2-O-SULPHO)-BETA-D-QUINOVOPYRANOSIDE]](/api/spectrum/C7atdapS24G/structure.png?h=300&w=458 "ATRIPLICOSAPONIN-B;17-ALPHA-HYDROXY-URS-12-ENE-3-O-[BETA-D-GLUCOPYRANOSYL-(1->4)-(2-O-SULPHO)-BETA-D-QUINOVOPYRANOSIDE]")
| SpectraBase Compound ID | JM7eOEkcMau |
|---|---|
| InChI | InChI=1S/C42H70O14S/c1-21-11-14-39(6)17-18-42(20-44)24(29(39)22(21)2)9-10-27-40(7)15-13-28(38(4,5)26(40)12-16-41(27,42)8)54-37-35(56-57(49,50)51)33(48)34(23(3)52-37)55-36-32(47)31(46)30(45)25(19-43)53-36/h9,21-23,25-37,43-48H,10-20H2,1-8H3,(H,49,50,51)/t21-,22+,23-,25+,26+,27-,28+,29+,30+,31-,32+,33+,34-,35-,36-,37+,39-,40+,41-,42+/m1/s1 |
| InChIKey | NKGFVUZXSKFRND-UBMAITCLSA-N |
| Mol Weight | 831.1 g/mol |
| Molecular Formula | C42H70O14S |
| Exact Mass | 830.448628 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C7atdapS24G |
|---|---|
| Name | ATRIPLICOSAPONIN-B;17-ALPHA-HYDROXY-URS-12-ENE-3-O-[BETA-D-GLUCOPYRANOSYL-(1->4)-(2-O-SULPHO)-BETA-D-QUINOVOPYRANOSIDE] |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H70O14S |
| InChI | InChI=1S/C42H70O14S/c1-21-11-14-39(6)17-18-42(20-44)24(29(39)22(21)2)9-10-27-40(7)15-13-28(38(4,5)26(40)12-16-41(27,42)8)54-37-35(56-57(49,50)51)33(48)34(23(3)52-37)55-36-32(47)31(46)30(45)25(19-43)53-36/h9,21-23,25-37,43-48H,10-20H2,1-8H3,(H,49,50,51)/t21-,22+,23-,25+,26+,27-,28+,29+,30+,31-,32+,33+,34-,35-,36-,37+,39-,40+,41-,42+/m1/s1 |
| InChIKey | NKGFVUZXSKFRND-UBMAITCLSA-N |
| Literature Reference Author | V.U.AHMAD,S.IQBAL,F.KOUSAR,S.BADER,S.ARSHAD,R.B.TAREEN |
| Literature Reference Citation | CHEM.PHARM.BULL.,53,1126(2005) |
| Literature Reference DOI | 10.1248/cpb.53.1126 |
| Molecular Weight | 831.069 g/mol |
| Sample ID | 54143 |
| Solvent | CD3OD |