![(22S)-16-BETA-[(BETA-D-GLUCOPYRANOSYL)-OXY]-3-BETA,22-DIHYDROXY-5-ALPHA-CHOLESTAN-1-BETA-YL-BETA-D-GLUCOPYRANOSIDE](/api/spectrum/7UaFEEjPauM/structure.png?h=300&w=458 "(22S)-16-BETA-[(BETA-D-GLUCOPYRANOSYL)-OXY]-3-BETA,22-DIHYDROXY-5-ALPHA-CHOLESTAN-1-BETA-YL-BETA-D-GLUCOPYRANOSIDE")
| SpectraBase Compound ID | 2qwTlMeJp4Q |
|---|---|
| InChI | InChI=1S/C39H68O14/c1-17(2)6-9-24(43)18(3)29-25(50-36-34(48)32(46)30(44)26(15-40)51-36)14-23-21-8-7-19-12-20(42)13-28(39(19,5)22(21)10-11-38(23,29)4)53-37-35(49)33(47)31(45)27(16-41)52-37/h17-37,40-49H,6-16H2,1-5H3/t18-,19?,20-,21-,22+,23+,24-,25+,26-,27+,28-,29+,30-,31+,32+,33-,34-,35+,36-,37-,38+,39+/m1/s1 |
| InChIKey | HLBSFOSIJVBLBR-WVKXIBTOSA-N |
| Mol Weight | 761.0 g/mol |
| Molecular Formula | C39H68O14 |
| Exact Mass | 760.460907 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7UaFEEjPauM |
|---|---|
| Name | (22S)-16-BETA-[(BETA-D-GLUCOPYRANOSYL)-OXY]-3-BETA,22-DIHYDROXY-5-ALPHA-CHOLESTAN-1-BETA-YL-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H68O14 |
| InChI | InChI=1S/C39H68O14/c1-17(2)6-9-24(43)18(3)29-25(50-36-34(48)32(46)30(44)26(15-40)51-36)14-23-21-8-7-19-12-20(42)13-28(39(19,5)22(21)10-11-38(23,29)4)53-37-35(49)33(47)31(45)27(16-41)52-37/h17-37,40-49H,6-16H2,1-5H3/t18-,19?,20-,21-,22+,23+,24-,25+,26-,27+,28-,29+,30-,31+,32+,33-,34-,35+,36-,37-,38+,39+/m1/s1 |
| InChIKey | HLBSFOSIJVBLBR-WVKXIBTOSA-N |
| Literature Reference Author | M.KURODA,Y.MIMAKI,K.ORI,H.SAKAGAMI,Y.SASHIDA |
| Literature Reference Citation | J.NAT.PROD.,67,1690(2004) |
| Literature Reference DOI | 10.1021/np040108i |
| Molecular Weight | 760.961 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ6567 |