![(22S)-1-BETA-[(BETA-D-GLUCOPYRANOSYL)-OXY]-3-BETA,22-DIHYDROXYCHOLEST-5-EN-16-BETA-YL-BETA-D-APIOFURANOSIDE](/api/spectrum/8Uq8XKhW8iL/structure.png?h=300&w=458 "(22S)-1-BETA-[(BETA-D-GLUCOPYRANOSYL)-OXY]-3-BETA,22-DIHYDROXYCHOLEST-5-EN-16-BETA-YL-BETA-D-APIOFURANOSIDE")
| SpectraBase Compound ID | HhU615mzUn9 |
|---|---|
| InChI | InChI=1S/C38H64O13/c1-18(2)6-9-25(42)19(3)29-26(49-35-33(46)38(47,16-40)17-48-35)14-24-22-8-7-20-12-21(41)13-28(37(20,5)23(22)10-11-36(24,29)4)51-34-32(45)31(44)30(43)27(15-39)50-34/h7,18-19,21-35,39-47H,6,8-17H2,1-5H3/t19?,21?,22?,23?,24?,25?,26?,27-,28?,29?,30-,31+,32-,33-,34+,35-,36?,37?,38+/m0/s1 |
| InChIKey | XSPBMOFJOKLELH-LJDTZLEMSA-N |
| Mol Weight | 728.9 g/mol |
| Molecular Formula | C38H64O13 |
| Exact Mass | 728.434692 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 8Uq8XKhW8iL |
|---|---|
| Name | (22S)-1-BETA-[(BETA-D-GLUCOPYRANOSYL)-OXY]-3-BETA,22-DIHYDROXYCHOLEST-5-EN-16-BETA-YL-BETA-D-APIOFURANOSIDE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H64O13 |
| InChI | InChI=1S/C38H64O13/c1-18(2)6-9-25(42)19(3)29-26(49-35-33(46)38(47,16-40)17-48-35)14-24-22-8-7-20-12-21(41)13-28(37(20,5)23(22)10-11-36(24,29)4)51-34-32(45)31(44)30(43)27(15-39)50-34/h7,18-19,21-35,39-47H,6,8-17H2,1-5H3/t19?,21?,22?,23?,24?,25?,26?,27-,28?,29?,30-,31+,32-,33-,34+,35-,36?,37?,38+/m0/s1 |
| InChIKey | XSPBMOFJOKLELH-LJDTZLEMSA-N |
| Literature Reference Author | Y.MIMAKI,A.YOKOSUKA,Y.SASHIDA |
| Literature Reference Citation | J.NAT.PROD.,63,1519(2000) |
| Literature Reference DOI | 10.1021/np000230r |
| Molecular Weight | 728.918 g/mol |
| Solvent | C5D5N |