![#2;SOYASAPONIN-BETA-A;3-O-[BETA-D-GLUCOPYRANOSYL-(1->2)-ALPHA-L-ARABINOPYRANOSYL-(1->2)-BETA-D-GLUCURONOPYRANOSYL-(1->)]-22-O-[2,3-DIHYDRO-2,5-DIHYDROXY-6-METH](/api/spectrum/HA3b5eCJ9tZ/structure.png?h=300&w=458 "#2;SOYASAPONIN-BETA-A;3-O-[BETA-D-GLUCOPYRANOSYL-(1->2)-ALPHA-L-ARABINOPYRANOSYL-(1->2)-BETA-D-GLUCURONOPYRANOSYL-(1->)]-22-O-[2,3-DIHYDRO-2,5-DIHYDROXY-6-METH")
| SpectraBase Compound ID | DR42DlsWzUc |
|---|---|
| InChI | InChI=1S/C53H82O21/c1-23-34(58)26(56)17-33(68-23)70-32-19-48(2,3)18-25-24-9-10-30-50(5)13-12-31(51(6,22-55)29(50)11-14-53(30,8)52(24,7)16-15-49(25,32)4)71-47-43(39(63)38(62)41(72-47)44(65)66)74-46-42(35(59)27(57)21-67-46)73-45-40(64)37(61)36(60)28(20-54)69-45/h9,25,27-33,35-43,45-47,54-55,57-64H,10-22H2,1-8H3,(H,65,66)/t25-,27-,28+,29+,30+,31-,32+,33?,35-,36+,37-,38-,39-,40+,41-,42+,43+,45-,46-,47+,49?,50?,51+,52?,53?/m0/s1 |
| InChIKey | AKVKZWDTBCHBPM-SYVCREPCSA-N |
| Mol Weight | 1055.2 g/mol |
| Molecular Formula | C53H82O21 |
| Exact Mass | 1054.53486 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HA3b5eCJ9tZ |
|---|---|
| Name | #2;SOYASAPONIN-BETA-A;3-O-[BETA-D-GLUCOPYRANOSYL-(1->2)-ALPHA-L-ARABINOPYRANOSYL-(1->2)-BETA-D-GLUCURONOPYRANOSYL-(1->)]-22-O-[2,3-DIHYDRO-2,5-DIHYDROXY-6-METH |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C53H82O21 |
| InChI | InChI=1S/C53H82O21/c1-23-34(58)26(56)17-33(68-23)70-32-19-48(2,3)18-25-24-9-10-30-50(5)13-12-31(51(6,22-55)29(50)11-14-53(30,8)52(24,7)16-15-49(25,32)4)71-47-43(39(63)38(62)41(72-47)44(65)66)74-46-42(35(59)27(57)21-67-46)73-45-40(64)37(61)36(60)28(20-54)69-45/h9,25,27-33,35-43,45-47,54-55,57-64H,10-22H2,1-8H3,(H,65,66)/t25-,27-,28+,29+,30+,31-,32+,33?,35-,36+,37-,38-,39-,40+,41-,42+,43+,45-,46-,47+,49?,50?,51+,52?,53?/m0/s1 |
| InChIKey | AKVKZWDTBCHBPM-SYVCREPCSA-N |
| Literature Reference Author | Y.YOSHIKI,J.H.KIM,K.OKUBO |
| Literature Reference Citation | PHYTOCHEM.,36,1009(1994) |
| Literature Reference DOI | 10.1016/S0031-9422(00)90481-3 |
| Molecular Weight | 1055.221 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMS26133 |