![#3;(22S,25S)-16-O-BETA-D-XYLOPYRANOSYL-5-ALPHA-CHOLESTAN-3-BETA,16-BETA,22,26-TETRAOL-3-O-BETA-D-GLUCOPYRANOSYL-(1->2)-O-[BETA-D-GLUCOPYRANOSYL-(1->3)]-O-BETA-](/api/spectrum/GfnNZ3cWcA9/structure.png?h=300&w=458 "#3;(22S,25S)-16-O-BETA-D-XYLOPYRANOSYL-5-ALPHA-CHOLESTAN-3-BETA,16-BETA,22,26-TETRAOL-3-O-BETA-D-GLUCOPYRANOSYL-(1->2)-O-[BETA-D-GLUCOPYRANOSYL-(1->3)]-O-BETA-")
| SpectraBase Compound ID | ASpKzEcyBCP |
|---|---|
| InChI | InChI=1S/C56H96O28/c1-21(15-57)5-8-28(62)22(2)35-30(77-50-43(71)36(64)29(63)20-75-50)14-27-25-7-6-23-13-24(9-11-55(23,3)26(25)10-12-56(27,35)4)76-51-46(74)42(70)47(34(19-61)81-51)82-54-49(84-53-45(73)41(69)38(66)32(17-59)79-53)48(39(67)33(18-60)80-54)83-52-44(72)40(68)37(65)31(16-58)78-52/h21-54,57-74H,5-20H2,1-4H3/t21-,22+,23-,24-,25+,26-,27-,28+,29+,30-,31+,32-,33-,34+,35-,36-,37+,38-,39-,40-,41+,42+,43+,44+,45-,46+,47-,48+,49-,50-,51+,52-,53+,54+,55-,56-/m0/s1 |
| InChIKey | CSKYZYLKRBSOIG-GHXZPKPWSA-N |
| Mol Weight | 1217.4 g/mol |
| Molecular Formula | C56H96O28 |
| Exact Mass | 1216.608812 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GfnNZ3cWcA9 |
|---|---|
| Name | #3;(22S,25S)-16-O-BETA-D-XYLOPYRANOSYL-5-ALPHA-CHOLESTAN-3-BETA,16-BETA,22,26-TETRAOL-3-O-BETA-D-GLUCOPYRANOSYL-(1->2)-O-[BETA-D-GLUCOPYRANOSYL-(1->3)]-O-BETA- |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C56H96O28 |
| InChI | InChI=1S/C56H96O28/c1-21(15-57)5-8-28(62)22(2)35-30(77-50-43(71)36(64)29(63)20-75-50)14-27-25-7-6-23-13-24(9-11-55(23,3)26(25)10-12-56(27,35)4)76-51-46(74)42(70)47(34(19-61)81-51)82-54-49(84-53-45(73)41(69)38(66)32(17-59)79-53)48(39(67)33(18-60)80-54)83-52-44(72)40(68)37(65)31(16-58)78-52/h21-54,57-74H,5-20H2,1-4H3/t21-,22+,23-,24-,25+,26-,27-,28+,29+,30-,31+,32-,33-,34+,35-,36-,37+,38-,39-,40-,41+,42+,43+,44+,45-,46+,47-,48+,49-,50-,51+,52-,53+,54+,55-,56-/m0/s1 |
| InChIKey | CSKYZYLKRBSOIG-GHXZPKPWSA-N |
| Literature Reference Author | A.TEMRAZ,O.D.E.GINDI,H.A.KADRY,N.D.TOMMASI,A.BRACA |
| Literature Reference Citation | PHYTOCHEM.,67,1011(2006) |
| Literature Reference DOI | 10.1016/j.phytochem.2006.03.007 |
| Molecular Weight | 1217.361 g/mol |
| Sample ID | 66250 |
| Solvent | CD3OD |