![HERNIARIA-SAPONIN;3-O-BETA-GLUCURONOPYRANOSYL-MEDICAGENIC-ACID-28-O-[GLUCOPYRANOSYL-(1->3)-RHAMNOPYRANOSYL-(1->2)-[APIOFURANOSYL-(1->3)]-(4-ACETYL](/api/spectrum/KVxZQQTQLTH/structure.png?h=300&w=458 "HERNIARIA-SAPONIN;3-O-BETA-GLUCURONOPYRANOSYL-MEDICAGENIC-ACID-28-O-[GLUCOPYRANOSYL-(1->3)-RHAMNOPYRANOSYL-(1->2)-[APIOFURANOSYL-(1->3)]-(4-ACETYL")
| SpectraBase Compound ID | DTIdvFxnwhu |
|---|---|
| InChI | InChI=1S/C61H94O30/c1-23-32(66)41(86-48-37(71)34(68)33(67)29(20-62)85-48)39(73)50(82-23)89-44-43(88-52-45(74)61(80,21-63)22-81-52)40(84-25(3)64)24(2)83-51(44)91-54(79)60-16-14-55(4,5)18-27(60)26-10-11-30-56(6)19-28(65)46(90-49-38(72)35(69)36(70)42(87-49)47(75)76)59(9,53(77)78)31(56)12-13-58(30,8)57(26,7)15-17-60/h10,23-24,27-46,48-52,62-63,65-74,80H,11-22H2,1-9H3,(H,75,76)(H,77,78)/t23-,24+,27?,28-,29+,30?,31?,32-,33+,34-,35-,36-,37+,38+,39+,40-,41+,42-,43-,44+,45-,46-,48-,49-,50-,51-,52-,56+,57+,58+,59-,60-,61+/m0/s1 |
| InChIKey | XNRKDQAHYBHQDY-DKVOGLFBSA-N |
| Mol Weight | 1307.4 g/mol |
| Molecular Formula | C61H94O30 |
| Exact Mass | 1306.582992 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KVxZQQTQLTH |
|---|---|
| Name | HERNIARIA-SAPONIN;3-O-BETA-GLUCURONOPYRANOSYL-MEDICAGENIC-ACID-28-O-[GLUCOPYRANOSYL-(1->3)-RHAMNOPYRANOSYL-(1->2)-[APIOFURANOSYL-(1->3)]-(4-ACETYL |
| Compound Number | 89 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C61H94O30 |
| InChI | InChI=1S/C61H94O30/c1-23-32(66)41(86-48-37(71)34(68)33(67)29(20-62)85-48)39(73)50(82-23)89-44-43(88-52-45(74)61(80,21-63)22-81-52)40(84-25(3)64)24(2)83-51(44)91-54(79)60-16-14-55(4,5)18-27(60)26-10-11-30-56(6)19-28(65)46(90-49-38(72)35(69)36(70)42(87-49)47(75)76)59(9,53(77)78)31(56)12-13-58(30,8)57(26,7)15-17-60/h10,23-24,27-46,48-52,62-63,65-74,80H,11-22H2,1-9H3,(H,75,76)(H,77,78)/t23-,24+,27?,28-,29+,30?,31?,32-,33+,34-,35-,36-,37+,38+,39+,40-,41+,42-,43-,44+,45-,46-,48-,49-,50-,51-,52-,56+,57+,58+,59-,60-,61+/m0/s1 |
| InChIKey | XNRKDQAHYBHQDY-DKVOGLFBSA-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 | 1307.399 g/mol |
| Solvent | Unknown |
| Source File Reference | UWVN1156 |