![5-ALPHA-SPIROST-25(27)-ENE-1-BETA,3-ALPHA-DIOL-1-O-[O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-O-[BETA-D-XYLOPYRANOSYL-(1->3)]-BETA-D-FUCOPYRANOSIDE](/api/spectrum/DKpCbcj9Pul/structure.png?h=300&w=458 "5-ALPHA-SPIROST-25(27)-ENE-1-BETA,3-ALPHA-DIOL-1-O-[O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-O-[BETA-D-XYLOPYRANOSYL-(1->3)]-BETA-D-FUCOPYRANOSIDE")
| SpectraBase Compound ID | 8F1BuI826ZI |
|---|---|
| InChI | InChI=1S/C44H70O16/c1-18-9-12-44(54-16-18)19(2)30-28(60-44)15-26-24-8-7-22-13-23(45)14-29(43(22,6)25(24)10-11-42(26,30)5)57-41-38(59-40-36(52)34(50)31(47)20(3)55-40)37(32(48)21(4)56-41)58-39-35(51)33(49)27(46)17-53-39/h19-41,45-52H,1,7-17H2,2-6H3/t19-,20+,21-,22-,23-,24?,25?,26?,27-,28?,29+,30?,31+,32+,33+,34-,35-,36-,37+,38-,39+,40+,41+,42-,43-,44+/m0/s1 |
| InChIKey | ZXUNDWRNAHTZGJ-LONMNSGISA-N |
| Mol Weight | 855.0 g/mol |
| Molecular Formula | C44H70O16 |
| Exact Mass | 854.466386 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DKpCbcj9Pul |
|---|---|
| Name | 5-ALPHA-SPIROST-25(27)-ENE-1-BETA,3-ALPHA-DIOL-1-O-[O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-O-[BETA-D-XYLOPYRANOSYL-(1->3)]-BETA-D-FUCOPYRANOSIDE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H70O16 |
| InChI | InChI=1S/C44H70O16/c1-18-9-12-44(54-16-18)19(2)30-28(60-44)15-26-24-8-7-22-13-23(45)14-29(43(22,6)25(24)10-11-42(26,30)5)57-41-38(59-40-36(52)34(50)31(47)20(3)55-40)37(32(48)21(4)56-41)58-39-35(51)33(49)27(46)17-53-39/h19-41,45-52H,1,7-17H2,2-6H3/t19-,20+,21-,22-,23-,24?,25?,26?,27-,28?,29+,30?,31+,32+,33+,34-,35-,36-,37+,38-,39+,40+,41+,42-,43-,44+/m0/s1 |
| InChIKey | ZXUNDWRNAHTZGJ-LONMNSGISA-N |
| Literature Reference Author | Y.MIMAKI,M.KURODA,Y.TAKAASHI,Y.SASHIDA |
| Literature Reference Citation | PHYTOCHEM.,47,79(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(97)00545-1 |
| Molecular Weight | 855.030 g/mol |
| Solvent | C5D5N:CD3OD=11:1 |
| Source File Reference | UWSI4846 |