![ISOANGUIVINE;(23S,25R)-3-BETA-[O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-O-[BETA-D-XYLOPYRANOSYL-(1->3)]-BETA-D-GALACTOPYRANOSYLOXY]-22-ALPHA-N-SPIROSOL-5-E](/api/spectrum/C9KAC5AzS9U/structure.png?h=300&w=458 "ISOANGUIVINE;(23S,25R)-3-BETA-[O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-O-[BETA-D-XYLOPYRANOSYL-(1->3)]-BETA-D-GALACTOPYRANOSYLOXY]-22-ALPHA-N-SPIROSOL-5-E")
| SpectraBase Compound ID | 6BwEzLzWr4N |
|---|---|
| InChI | InChI=1S/C44H71NO15/c1-19-8-13-44(45-16-19)20(2)30-28(60-44)15-26-24-7-6-22-14-23(9-11-42(22,4)25(24)10-12-43(26,30)5)56-41-38(59-40-36(53)34(51)31(48)21(3)55-40)37(33(50)29(17-46)57-41)58-39-35(52)32(49)27(47)18-54-39/h6,19-21,23-41,45-53H,7-18H2,1-5H3/t19-,20-,21+,23?,24+,25?,26?,27+,28?,29+,30?,31+,32-,33-,34-,35+,36-,37-,38+,39-,40+,41+,42-,43-,44?/m0/s1 |
| InChIKey | CQRUYUGBBOLYTD-UUHJJXLFSA-N |
| Mol Weight | 854.0 g/mol |
| Molecular Formula | C44H71NO15 |
| Exact Mass | 853.482371 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C9KAC5AzS9U |
|---|---|
| Name | ISOANGUIVINE;(23S,25R)-3-BETA-[O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-O-[BETA-D-XYLOPYRANOSYL-(1->3)]-BETA-D-GALACTOPYRANOSYLOXY]-22-ALPHA-N-SPIROSOL-5-E |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H71NO15 |
| InChI | InChI=1S/C44H71NO15/c1-19-8-13-44(45-16-19)20(2)30-28(60-44)15-26-24-7-6-22-14-23(9-11-42(22,4)25(24)10-12-43(26,30)5)56-41-38(59-40-36(53)34(51)31(48)21(3)55-40)37(33(50)29(17-46)57-41)58-39-35(52)32(49)27(47)18-54-39/h6,19-21,23-41,45-53H,7-18H2,1-5H3/t19-,20-,21+,23?,24+,25?,26?,27+,28?,29+,30?,31+,32-,33-,34-,35+,36-,37-,38+,39-,40+,41+,42-,43-,44?/m0/s1 |
| InChIKey | CQRUYUGBBOLYTD-UUHJJXLFSA-N |
| Literature Reference Author | H.RIPPERGER |
| Literature Reference Citation | PHYTOCHEM.,44,731(1997) |
| Literature Reference DOI | 10.1016/S0031-9422(96)00575-4 |
| Molecular Weight | 854.045 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWPA279 |