![(22S)-16-BETA-[(O-BETA-D-APIOFURANOSYL-(1->4)-6-O-ACETYL-BETA-D-GLUCOPYRANOSYL)]-3-BETA,22-DIHYDROXY-5-ALPHA-CHOLESTAN-16-BETA-YL-ALPHA-L-RHAMNOPYR](/api/spectrum/74NAKWHMwsY/structure.png?h=300&w=458 "(22S)-16-BETA-[(O-BETA-D-APIOFURANOSYL-(1->4)-6-O-ACETYL-BETA-D-GLUCOPYRANOSYL)]-3-BETA,22-DIHYDROXY-5-ALPHA-CHOLESTAN-16-BETA-YL-ALPHA-L-RHAMNOPYR")
| SpectraBase Compound ID | BmZ7AwGTlPa |
|---|---|
| InChI | InChI=1S/C46H78O18/c1-20(2)8-11-29(50)21(3)33-30(61-42-38(55)36(53)39(31(62-42)17-58-23(5)48)64-43-40(56)46(57,18-47)19-59-43)16-28-26-10-9-24-14-25(49)15-32(45(24,7)27(26)12-13-44(28,33)6)63-41-37(54)35(52)34(51)22(4)60-41/h20-22,24-43,47,49-57H,8-19H2,1-7H3/t21-,22-,24?,25-,26-,27+,28+,29-,30+,31-,32-,33+,34-,35+,36-,37+,38-,39-,40-,41-,42-,43-,44+,45+,46+/m1/s1 |
| InChIKey | UYLCZACRDJQKFV-ZVOWWSFPSA-N |
| Mol Weight | 919.1 g/mol |
| Molecular Formula | C46H78O18 |
| Exact Mass | 918.518816 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 74NAKWHMwsY |
|---|---|
| Name | (22S)-16-BETA-[(O-BETA-D-APIOFURANOSYL-(1->4)-6-O-ACETYL-BETA-D-GLUCOPYRANOSYL)]-3-BETA,22-DIHYDROXY-5-ALPHA-CHOLESTAN-16-BETA-YL-ALPHA-L-RHAMNOPYR |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H78O18 |
| InChI | InChI=1S/C46H78O18/c1-20(2)8-11-29(50)21(3)33-30(61-42-38(55)36(53)39(31(62-42)17-58-23(5)48)64-43-40(56)46(57,18-47)19-59-43)16-28-26-10-9-24-14-25(49)15-32(45(24,7)27(26)12-13-44(28,33)6)63-41-37(54)35(52)34(51)22(4)60-41/h20-22,24-43,47,49-57H,8-19H2,1-7H3/t21-,22-,24?,25-,26-,27+,28+,29-,30+,31-,32-,33+,34-,35+,36-,37+,38-,39-,40-,41-,42-,43-,44+,45+,46+/m1/s1 |
| InChIKey | UYLCZACRDJQKFV-ZVOWWSFPSA-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 | 919.115 g/mol |
| Solvent | C5D5N |