![#3;SOYBEAN-SAPONIN-AD;3-O-[BETA-D-GLUCOPYRANOSYL-(1->2)-ALPHA-L-ARABINOPYRANOSYL-(1->2)-BETA-D-GLUCURONOPYRANOSYL]-22-O-[2,3,4,6-TETRA-O-ACETYL-BETA-D-GLUCOPYR](/api/spectrum/AXWltIiKppx/structure.png?h=300&w=458 "#3;SOYBEAN-SAPONIN-AD;3-O-[BETA-D-GLUCOPYRANOSYL-(1->2)-ALPHA-L-ARABINOPYRANOSYL-(1->2)-BETA-D-GLUCURONOPYRANOSYL]-22-O-[2,3,4,6-TETRA-O-ACETYL-BETA-D-GLUCOPYR")
| SpectraBase Compound ID | 88T8jVJIRhn |
|---|---|
| InChI | InChI=1S/C66H102O32/c1-26(69)85-24-35-47(88-27(2)70)51(89-28(3)71)52(90-29(4)72)60(92-35)94-46-33(74)23-86-56(45(46)81)98-54-53(82)61(5,6)20-31-30-12-13-37-63(8)16-15-38(64(9,25-68)36(63)14-17-66(37,11)65(30,10)19-18-62(31,54)7)93-59-50(43(79)42(78)48(95-59)55(83)84)97-58-49(39(75)32(73)22-87-58)96-57-44(80)41(77)40(76)34(21-67)91-57/h12,31-54,56-60,67-68,73-82H,13-25H2,1-11H3,(H,83,84)/t31-,32-,33+,34+,35-,36+,37+,38-,39-,40+,41-,42-,43-,44+,45-,46+,47-,48-,49+,50+,51+,52-,53-,54+,56+,57-,58-,59+,60+,62?,63?,64+,65?,66?/m0/s1 |
| InChIKey | RRJPKEFULKVHRF-BGNPPCRFSA-N |
| Mol Weight | 1407.5 g/mol |
| Molecular Formula | C66H102O32 |
| Exact Mass | 1406.635421 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AXWltIiKppx |
|---|---|
| Name | #3;SOYBEAN-SAPONIN-AD;3-O-[BETA-D-GLUCOPYRANOSYL-(1->2)-ALPHA-L-ARABINOPYRANOSYL-(1->2)-BETA-D-GLUCURONOPYRANOSYL]-22-O-[2,3,4,6-TETRA-O-ACETYL-BETA-D-GLUCOPYR |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C66H102O32 |
| InChI | InChI=1S/C66H102O32/c1-26(69)85-24-35-47(88-27(2)70)51(89-28(3)71)52(90-29(4)72)60(92-35)94-46-33(74)23-86-56(45(46)81)98-54-53(82)61(5,6)20-31-30-12-13-37-63(8)16-15-38(64(9,25-68)36(63)14-17-66(37,11)65(30,10)19-18-62(31,54)7)93-59-50(43(79)42(78)48(95-59)55(83)84)97-58-49(39(75)32(73)22-87-58)96-57-44(80)41(77)40(76)34(21-67)91-57/h12,31-54,56-60,67-68,73-82H,13-25H2,1-11H3,(H,83,84)/t31-,32-,33+,34+,35-,36+,37+,38-,39-,40+,41-,42-,43-,44+,45-,46+,47-,48-,49+,50+,51+,52-,53-,54+,56+,57-,58-,59+,60+,62?,63?,64+,65?,66?/m0/s1 |
| InChIKey | RRJPKEFULKVHRF-BGNPPCRFSA-N |
| Literature Reference Author | M.SHIRAIWA,S.KUDO,M.SHIMOYAMADA,K.HARADA,K.OKUBO |
| Literature Reference Citation | AGR.BIOL.CHEM.,55,315(1991) |
| Literature Reference DOI | 10.1271/bbb1961.55.315 |
| Molecular Weight | 1407.517 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWBT7706 |