![HERNIARIA-SAPONIN-C;3-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->2)-BETA-D-GLUCURONOPYRANOSYL]-2-BETA,3-BETA-16-ALPHA-TRIHYDROXYOLEANE-12-ENE-23,28-DIOIC-ACID-](/api/spectrum/5DZHMbiLzxn/structure.png?h=300&w=458 "HERNIARIA-SAPONIN-C;3-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->2)-BETA-D-GLUCURONOPYRANOSYL]-2-BETA,3-BETA-16-ALPHA-TRIHYDROXYOLEANE-12-ENE-23,28-DIOIC-ACID-")
| SpectraBase Compound ID | 8hBIwLxeHdY |
|---|---|
| InChI | InChI=1S/C62H96O30/c1-21-32(66)35(69)40(74)50(82-21)88-45-39(73)38(72)44(49(77)78)87-53(45)91-48-28(64)19-58(8)29-13-12-26-27-18-57(6,7)16-17-62(27,31(65)20-60(26,10)59(29,9)15-14-30(58)61(48,11)55(79)80)56(81)92-54-47(90-52-42(76)37(71)34(68)23(3)84-52)46(43(24(4)85-54)86-25(5)63)89-51-41(75)36(70)33(67)22(2)83-51/h12,21-24,27-48,50-54,64-76H,13-20H2,1-11H3,(H,77,78)(H,79,80)/t21-,22-,23-,24+,27-,28-,29+,30+,31+,32-,33-,34-,35+,36+,37+,38-,39-,40+,41+,42+,43-,44-,45+,46-,47+,48-,50-,51-,52-,53-,54-,58+,59+,60+,61-,62+/m0/s1 |
| InChIKey | GDMHQAWNMFIIFV-CYCQVHIKSA-N |
| Mol Weight | 1321.4 g/mol |
| Molecular Formula | C62H96O30 |
| Exact Mass | 1320.598642 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5DZHMbiLzxn |
|---|---|
| Name | HERNIARIA-SAPONIN-C;3-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->2)-BETA-D-GLUCURONOPYRANOSYL]-2-BETA,3-BETA-16-ALPHA-TRIHYDROXYOLEANE-12-ENE-23,28-DIOIC-ACID- |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C62H96O30 |
| InChI | InChI=1S/C62H96O30/c1-21-32(66)35(69)40(74)50(82-21)88-45-39(73)38(72)44(49(77)78)87-53(45)91-48-28(64)19-58(8)29-13-12-26-27-18-57(6,7)16-17-62(27,31(65)20-60(26,10)59(29,9)15-14-30(58)61(48,11)55(79)80)56(81)92-54-47(90-52-42(76)37(71)34(68)23(3)84-52)46(43(24(4)85-54)86-25(5)63)89-51-41(75)36(70)33(67)22(2)83-51/h12,21-24,27-48,50-54,64-76H,13-20H2,1-11H3,(H,77,78)(H,79,80)/t21-,22-,23-,24+,27-,28-,29+,30+,31+,32-,33-,34-,35+,36+,37+,38-,39-,40+,41+,42+,43-,44-,45+,46-,47+,48-,50-,51-,52-,53-,54-,58+,59+,60+,61-,62+/m0/s1 |
| InChIKey | GDMHQAWNMFIIFV-CYCQVHIKSA-N |
| Literature Reference Author | A.N.M'BARK,D.GUILLAUME,O.KOL,Z.CHARROUF |
| Literature Reference Citation | PHYTOCHEM.,43,1075(1996) |
| Literature Reference DOI | 10.1016/S0031-9422(96)00398-6 |
| Molecular Weight | 1321.426 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMS2312 |