![#5;SAPONARIOSIDE-G;3-O-BETA-D-XYLOPYRANOSYL-16-ALPHA-HYDROXY-GYPSOGENIC-ACID-28-O-BETA-D-GLUCOPYRANOSYL-(1-6)-[BETA-D-GLUCOPYRANOSYL-(1-3)]-BETA-D-GLUCOPYRANOS](/api/spectrum/CvoJsTTum1G/structure.png?h=300&w=458 "#5;SAPONARIOSIDE-G;3-O-BETA-D-XYLOPYRANOSYL-16-ALPHA-HYDROXY-GYPSOGENIC-ACID-28-O-BETA-D-GLUCOPYRANOSYL-(1-6)-[BETA-D-GLUCOPYRANOSYL-(1-3)]-BETA-D-GLUCOPYRANOS")
| SpectraBase Compound ID | 7ltu6AhPvkv |
|---|---|
| InChI | InChI=1S/C53H84O25/c1-48(2)13-14-53(47(70)78-45-40(67)41(77-44-39(66)36(63)33(60)25(18-55)74-44)34(61)26(75-45)20-72-42-38(65)35(62)32(59)24(17-54)73-42)22(15-48)21-7-8-27-49(3)11-10-30(76-43-37(64)31(58)23(56)19-71-43)52(6,46(68)69)28(49)9-12-50(27,4)51(21,5)16-29(53)57/h7,22-45,54-67H,8-20H2,1-6H3,(H,68,69)/t22?,23-,24-,25-,26-,27?,28?,29-,30+,31+,32-,33-,34-,35+,36+,37-,38-,39-,40-,41+,42-,43+,44+,45+,49-,50-,51-,52+,53-/m1/s1 |
| InChIKey | GAEHQHKGPCGEPQ-ZLEIYOODSA-N |
| Mol Weight | 1121.2 g/mol |
| Molecular Formula | C53H84O25 |
| Exact Mass | 1120.530168 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CvoJsTTum1G |
|---|---|
| Name | #5;SAPONARIOSIDE-G;3-O-BETA-D-XYLOPYRANOSYL-16-ALPHA-HYDROXY-GYPSOGENIC-ACID-28-O-BETA-D-GLUCOPYRANOSYL-(1-6)-[BETA-D-GLUCOPYRANOSYL-(1-3)]-BETA-D-GLUCOPYRANOS |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C53H84O25 |
| InChI | InChI=1S/C53H84O25/c1-48(2)13-14-53(47(70)78-45-40(67)41(77-44-39(66)36(63)33(60)25(18-55)74-44)34(61)26(75-45)20-72-42-38(65)35(62)32(59)24(17-54)73-42)22(15-48)21-7-8-27-49(3)11-10-30(76-43-37(64)31(58)23(56)19-71-43)52(6,46(68)69)28(49)9-12-50(27,4)51(21,5)16-29(53)57/h7,22-45,54-67H,8-20H2,1-6H3,(H,68,69)/t22?,23-,24-,25-,26-,27?,28?,29-,30+,31+,32-,33-,34-,35+,36+,37-,38-,39-,40-,41+,42-,43+,44+,45+,49-,50-,51-,52+,53-/m1/s1 |
| InChIKey | GAEHQHKGPCGEPQ-ZLEIYOODSA-N |
| Literature Reference Author | Z.JIA,K.KOIKE,T.NIKAIDO |
| Literature Reference Citation | J.NAT.PROD.,62,449(1999) |
| Literature Reference DOI | 10.1021/np980434w |
| Molecular Weight | 1121.235 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWCP7875 |