![HERNIARIA-SAPONIN-D;3-O-BETA-[RHAMNOPYRANOSYL-(1->2)-GLUCURONOPYRANOSYL]-ZANHIC-ACID-28-O-[RHAMNOPYRANOSYL-(1->2)-[RHAMNOPYRANOSYL-(1->3)]-FUCOPYR](/api/spectrum/EJYIcdiHcws/structure.png?h=300&w=458 "HERNIARIA-SAPONIN-D;3-O-BETA-[RHAMNOPYRANOSYL-(1->2)-GLUCURONOPYRANOSYL]-ZANHIC-ACID-28-O-[RHAMNOPYRANOSYL-(1->2)-[RHAMNOPYRANOSYL-(1->3)]-FUCOPYR")
| SpectraBase Compound ID | FtCiAm29wt2 |
|---|---|
| InChI | InChI=1S/C60H94O29/c1-20-30(63)34(67)39(72)48(80-20)84-42-33(66)23(4)83-52(45(42)87-50-41(74)36(69)32(65)22(3)82-50)89-54(79)60-16-15-55(5,6)17-25(60)24-11-12-27-56(7)18-26(61)46(59(10,53(77)78)28(56)13-14-57(27,8)58(24,9)19-29(60)62)88-51-44(38(71)37(70)43(85-51)47(75)76)86-49-40(73)35(68)31(64)21(2)81-49/h11,20-23,25-46,48-52,61-74H,12-19H2,1-10H3,(H,75,76)(H,77,78)/t20-,21-,22-,23+,25?,26-,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+/m0/s1 |
| InChIKey | QHDDQPQNQVJTGA-ZVSAUEPESA-N |
| Mol Weight | 1279.4 g/mol |
| Molecular Formula | C60H94O29 |
| Exact Mass | 1278.588077 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EJYIcdiHcws |
|---|---|
| Name | HERNIARIA-SAPONIN-D;3-O-BETA-[RHAMNOPYRANOSYL-(1->2)-GLUCURONOPYRANOSYL]-ZANHIC-ACID-28-O-[RHAMNOPYRANOSYL-(1->2)-[RHAMNOPYRANOSYL-(1->3)]-FUCOPYR |
| Compound Number | 86 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C60H94O29 |
| InChI | InChI=1S/C60H94O29/c1-20-30(63)34(67)39(72)48(80-20)84-42-33(66)23(4)83-52(45(42)87-50-41(74)36(69)32(65)22(3)82-50)89-54(79)60-16-15-55(5,6)17-25(60)24-11-12-27-56(7)18-26(61)46(59(10,53(77)78)28(56)13-14-57(27,8)58(24,9)19-29(60)62)88-51-44(38(71)37(70)43(85-51)47(75)76)86-49-40(73)35(68)31(64)21(2)81-49/h11,20-23,25-46,48-52,61-74H,12-19H2,1-10H3,(H,75,76)(H,77,78)/t20-,21-,22-,23+,25?,26-,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+/m0/s1 |
| InChIKey | QHDDQPQNQVJTGA-ZVSAUEPESA-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 | 1279.389 g/mol |
| Solvent | Unknown |
| Source File Reference | UWVN1332 |