![(25-R)-SPIROSTAN-3-BETA-OL-6-ONE-3-O-[BETA-D-GLUCOPYRANOSYL-(1->4)]-[ALPHA-L-ARABINOPYRANOSYL-(1->6)]-BETA](/api/spectrum/87s9OKsNE9A/structure.png?h=300&w=458 "(25-R)-SPIROSTAN-3-BETA-OL-6-ONE-3-O-[BETA-D-GLUCOPYRANOSYL-(1->4)]-[ALPHA-L-ARABINOPYRANOSYL-(1->6)]-BETA")
| SpectraBase Compound ID | 73khwEB0Wei |
|---|---|
| InChI | InChI=1S/C44H70O18/c1-18-5-10-44(57-15-18)19(2)30-27(62-44)13-23-21-12-25(46)24-11-20(6-8-42(24,3)22(21)7-9-43(23,30)4)58-40-37(54)34(51)38(61-41-36(53)33(50)32(49)28(14-45)59-41)29(60-40)17-56-39-35(52)31(48)26(47)16-55-39/h18-24,26-41,45,47-54H,5-17H2,1-4H3/t18-,19+,20+,21-,22+,23+,24-,26+,27+,28+,29-,30+,31+,32+,33-,34-,35-,36+,37-,38-,39+,40-,41-,42-,43+,44+/m1/s1 |
| InChIKey | CUPUFOPSEXRTQZ-CZBAWNSPSA-N |
| Mol Weight | 887.0 g/mol |
| Molecular Formula | C44H70O18 |
| Exact Mass | 886.456215 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 87s9OKsNE9A |
|---|---|
| Name | LAXOGENIN-3-O-BETA-D-GLUCOPYRANOSYL-(1->4)-O-[ALPHA-L-ARABINOPYRANOSYL-(1->6)]-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H70O18 |
| InChI | InChI=1S/C44H70O18/c1-18-5-10-44(57-15-18)19(2)30-27(62-44)13-23-21-12-25(46)24-11-20(6-8-42(24,3)22(21)7-9-43(23,30)4)58-40-37(54)34(51)38(61-41-36(53)33(50)32(49)28(14-45)59-41)29(60-40)17-56-39-35(52)31(48)26(47)16-55-39/h18-24,26-41,45,47-54H,5-17H2,1-4H3/t18-,19+,20+,21-,22+,23+,24-,26+,27+,28+,29-,30+,31+,32+,33-,34-,35-,36+,37-,38-,39+,40-,41-,42-,43+,44+/m1/s1 |
| InChIKey | CUPUFOPSEXRTQZ-CZBAWNSPSA-N |
| Literature Reference Author | S.KUBO,Y.MIMAKI,Y.SASHIDA,T.NIKAIDO,T.OHMOTO |
| Literature Reference Citation | PHYTOCHEM.,31,2445(1992) |
| Literature Reference DOI | 10.1016/0031-9422(92)83296-B |
| Molecular Weight | 887.029 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU28783 |