| SpectraBase Compound ID | 86iFCQnzPqu |
|---|---|
| InChI | InChI=1S/C59H94O26/c1-11-23(2)49(76)85-47-46(73)59(22-62)26(18-54(47,4)5)25-12-13-30-56(8)16-15-32(55(6,7)29(56)14-17-57(30,9)58(25,10)19-31(59)63)80-53-45(84-51-40(71)37(68)34(65)27(20-60)78-51)42(41(72)43(82-53)48(74)75)81-52-44(38(69)35(66)28(21-61)79-52)83-50-39(70)36(67)33(64)24(3)77-50/h11-12,24,26-47,50-53,60-73H,13-22H2,1-10H3,(H,74,75)/b23-11+/t24-,26?,27-,28+,29?,30?,31+,32-,33-,34-,35-,36+,37+,38-,39+,40-,41-,42-,43-,44+,45+,46-,47-,50-,51+,52-,53+,56-,57+,58+,59-/m0/s1 |
| InChIKey | BGBBNZNLVMEXJW-CSTGYDPOSA-N |
| Mol Weight | 1219.4 g/mol |
| Molecular Formula | C59H94O26 |
| Exact Mass | 1218.603333 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | lGvYrsUpGs |
|---|---|
| Name | BERNEUXIA-SAPONIN-A;21-TIGLOYLBARRINGTOGENOL-C-3-O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-BETA-D-GALACTOPYRANOSYL-(1->3)-[BETA-D-GLUCOPYRANOSYL-(1->2)-BETA |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C59H94O26 |
| InChI | InChI=1S/C59H94O26/c1-11-23(2)49(76)85-47-46(73)59(22-62)26(18-54(47,4)5)25-12-13-30-56(8)16-15-32(55(6,7)29(56)14-17-57(30,9)58(25,10)19-31(59)63)80-53-45(84-51-40(71)37(68)34(65)27(20-60)78-51)42(41(72)43(82-53)48(74)75)81-52-44(38(69)35(66)28(21-61)79-52)83-50-39(70)36(67)33(64)24(3)77-50/h11-12,24,26-47,50-53,60-73H,13-22H2,1-10H3,(H,74,75)/b23-11+/t24-,26?,27-,28+,29?,30?,31+,32-,33-,34-,35-,36+,37+,38-,39+,40-,41-,42-,43-,44+,45+,46-,47-,50-,51+,52-,53+,56-,57+,58+,59-/m0/s1 |
| InChIKey | BGBBNZNLVMEXJW-CSTGYDPOSA-N |
| Literature Reference Author | M.K.WANG,H.CAI,S.L.PENG,L.S.DING,F.E.WU,Y.Z.CHEN |
| Literature Reference Citation | PHYTOCHEM.,48,1411(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(97)00850-9 |
| Molecular Weight | 1219.380 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS1508 |