![SAPONOSIDE-A;3-O-BETA-[GLUCURONOPYRANOSYL]-GYPSOGENIN-28-O-[GLUCOPYRANOSYL-(1->3)-[GLUCOPYRANOSYL-(1->6)]-GLUCOPYRANOSYL]-ESTER](/api/spectrum/COSptrzmaLS/structure.png?h=300&w=458 "SAPONOSIDE-A;3-O-BETA-[GLUCURONOPYRANOSYL]-GYPSOGENIN-28-O-[GLUCOPYRANOSYL-(1->3)-[GLUCOPYRANOSYL-(1->6)]-GLUCOPYRANOSYL]-ESTER")
| SpectraBase Compound ID | 3OQR77UWWG6 |
|---|---|
| InChI | InChI=1S/C54H84O25/c1-49(2)13-15-54(48(71)79-47-40(68)41(77-45-38(66)34(62)31(59)25(19-56)74-45)32(60)26(75-47)20-72-44-37(65)33(61)30(58)24(18-55)73-44)16-14-52(5)22(23(54)17-49)7-8-28-50(3)11-10-29(51(4,21-57)27(50)9-12-53(28,52)6)76-46-39(67)35(63)36(64)42(78-46)43(69)70/h7,21,23-42,44-47,55-56,58-68H,8-20H2,1-6H3,(H,69,70)/t23?,24-,25-,26-,27?,28?,29+,30-,31-,32-,33+,34+,35+,36+,37-,38-,39-,40-,41+,42+,44-,45+,46-,47+,50+,51+,52-,53-,54+/m1/s1 |
| InChIKey | UHVCXQBCBRWVHQ-HNOHDAGBSA-N |
| Mol Weight | 1133.2 g/mol |
| Molecular Formula | C54H84O25 |
| Exact Mass | 1132.530168 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | COSptrzmaLS |
|---|---|
| Name | SAPONOSIDE-A;3-O-BETA-[GLUCURONOPYRANOSYL]-GYPSOGENIN-28-O-[GLUCOPYRANOSYL-(1->3)-[GLUCOPYRANOSYL-(1->6)]-GLUCOPYRANOSYL]-ESTER |
| Compound Number | 141 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H84O25 |
| InChI | InChI=1S/C54H84O25/c1-49(2)13-15-54(48(71)79-47-40(68)41(77-45-38(66)34(62)31(59)25(19-56)74-45)32(60)26(75-47)20-72-44-37(65)33(61)30(58)24(18-55)73-44)16-14-52(5)22(23(54)17-49)7-8-28-50(3)11-10-29(51(4,21-57)27(50)9-12-53(28,52)6)76-46-39(67)35(63)36(64)42(78-46)43(69)70/h7,21,23-42,44-47,55-56,58-68H,8-20H2,1-6H3,(H,69,70)/t23?,24-,25-,26-,27?,28?,29+,30-,31-,32-,33+,34+,35+,36+,37-,38-,39-,40-,41+,42+,44-,45+,46-,47+,50+,51+,52-,53-,54+/m1/s1 |
| InChIKey | UHVCXQBCBRWVHQ-HNOHDAGBSA-N |
| Literature Reference Author | N.TAN,J.ZHOU,S.ZHAO |
| Literature Reference Citation | PHYTOCHEM.,52,153(1999) |
| Literature Reference DOI | 10.1016/S0031-9422(98)00454-3 |
| Molecular Weight | 1133.246 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN1125 |