![(23S,25R)-23-HYDROXY-SPIROST-5-EN-3-BETA-YL-O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-O-[BETA-D-GLUCOPYRANOSYL-(1->6)]-BETA-D-GLUCOPYRANOSIDE](/api/spectrum/8Z4H30uU580/structure.png?h=300&w=458 "(23S,25R)-23-HYDROXY-SPIROST-5-EN-3-BETA-YL-O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-O-[BETA-D-GLUCOPYRANOSYL-(1->6)]-BETA-D-GLUCOPYRANOSIDE")
| SpectraBase Compound ID | H5RlBIJ1BVq |
|---|---|
| InChI | InChI=1S/C45H72O18/c1-18-12-29(47)45(57-16-18)19(2)30-26(63-45)14-25-23-7-6-21-13-22(8-10-43(21,4)24(23)9-11-44(25,30)5)59-42-39(62-41-38(55)34(51)31(48)20(3)58-41)36(53)33(50)28(61-42)17-56-40-37(54)35(52)32(49)27(15-46)60-40/h6,18-20,22-42,46-55H,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+,45+/m1/s1 |
| InChIKey | CPNQTLBOZUMCQY-PVCWWDSOSA-N |
| Mol Weight | 901.1 g/mol |
| Molecular Formula | C45H72O18 |
| Exact Mass | 900.471865 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8Z4H30uU580 |
|---|---|
| Name | (23S,25R)-23-HYDROXY-SPIROST-5-EN-3-BETA-YL-O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-O-[BETA-D-GLUCOPYRANOSYL-(1->6)]-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H72O18 |
| InChI | InChI=1S/C45H72O18/c1-18-12-29(47)45(57-16-18)19(2)30-26(63-45)14-25-23-7-6-21-13-22(8-10-43(21,4)24(23)9-11-44(25,30)5)59-42-39(62-41-38(55)34(51)31(48)20(3)58-41)36(53)33(50)28(61-42)17-56-40-37(54)35(52)32(49)27(15-46)60-40/h6,18-20,22-42,46-55H,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+,45+/m1/s1 |
| InChIKey | CPNQTLBOZUMCQY-PVCWWDSOSA-N |
| Literature Reference Author | Y.MIMAKI,T.SATOU,M.KURODA,Y.SASHIDA,Y.HATAKEYAMA |
| Literature Reference Citation | PHYTOCHEM.,51,567(1999) |
| Literature Reference DOI | 10.1016/S0031-9422(99)00022-9 |
| Molecular Weight | 901.056 g/mol |
| Solvent | C5D5N:CD3OD=11:1 |
| Source File Reference | UWUC397 |