![(23S)-23-HYDROXYISOANGUIVINE;(23S,25R)-3-BETA-[O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-O-[BETA-D-XYLOPYRANOSYL-(1->3)]-BETA-D-GALACTOPYRANOSYLOXY]-22-ALPH](/api/spectrum/9uMFE9ODo1j/structure.png?h=300&w=458 "(23S)-23-HYDROXYISOANGUIVINE;(23S,25R)-3-BETA-[O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-O-[BETA-D-XYLOPYRANOSYL-(1->3)]-BETA-D-GALACTOPYRANOSYLOXY]-22-ALPH")
| SpectraBase Compound ID | ERDkdhAOONc |
|---|---|
| InChI | InChI=1S/C44H71NO16/c1-18-12-29(48)44(45-15-18)19(2)30-27(61-44)14-25-23-7-6-21-13-22(8-10-42(21,4)24(23)9-11-43(25,30)5)57-41-38(60-40-36(54)34(52)31(49)20(3)56-40)37(33(51)28(16-46)58-41)59-39-35(53)32(50)26(47)17-55-39/h6,18-20,22-41,45-54H,7-17H2,1-5H3/t18-,19+,20-,22?,23-,24?,25?,26-,27?,28-,29+,30?,31-,32+,33+,34+,35-,36+,37+,38-,39+,40-,41-,42+,43+,44?/m1/s1 |
| InChIKey | ZDZNHVFIYPMJSA-OMMXHPELSA-N |
| Mol Weight | 870.0 g/mol |
| Molecular Formula | C44H71NO16 |
| Exact Mass | 869.477285 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9uMFE9ODo1j |
|---|---|
| Name | (23S)-23-HYDROXYANGUIVINE;(23S,25R)-3-BETA-[O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-O-[BETA-D-XYLOPYRANOSYL-(1->3)]-BETA-D-GLUCOPYRANOSYLOXY]-22-ALPHA-N-S |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H71NO16 |
| InChI | InChI=1S/C44H71NO16/c1-18-12-29(48)44(45-15-18)19(2)30-27(61-44)14-25-23-7-6-21-13-22(8-10-42(21,4)24(23)9-11-43(25,30)5)57-41-38(60-40-36(54)34(52)31(49)20(3)56-40)37(33(51)28(16-46)58-41)59-39-35(53)32(50)26(47)17-55-39/h6,18-20,22-41,45-54H,7-17H2,1-5H3/t18-,19+,20-,22?,23-,24?,25?,26-,27?,28-,29+,30?,31-,32+,33+,34+,35-,36+,37+,38-,39+,40-,41-,42+,43+,44?/m1/s1 |
| InChIKey | ZDZNHVFIYPMJSA-OMMXHPELSA-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 | 870.045 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWPA278 |