![FILIASPAROSIDE_C;(25-S)-5-BETA-SPIROSTAN-3-BETA-HYDROXY-3-O-BETA-XYLOPYRANOSYL-(1->2)-[ALPHA-RHAMNOPYRANOSYL-(1->4)]-BETA-GLUCOPYRANOSIDE](/api/spectrum/LwUBwMqdCYW/structure.png?h=300&w=458 "FILIASPAROSIDE_C;(25-S)-5-BETA-SPIROSTAN-3-BETA-HYDROXY-3-O-BETA-XYLOPYRANOSYL-(1->2)-[ALPHA-RHAMNOPYRANOSYL-(1->4)]-BETA-GLUCOPYRANOSIDE")
| SpectraBase Compound ID | 2HRn3uRlBjT |
|---|---|
| InChI | InChI=1S/C44H72O16/c1-19-8-13-44(54-17-19)20(2)30-28(60-44)15-26-24-7-6-22-14-23(9-11-42(22,4)25(24)10-12-43(26,30)5)56-41-38(59-39-34(50)32(48)27(46)18-53-39)36(52)37(29(16-45)57-41)58-40-35(51)33(49)31(47)21(3)55-40/h19-41,45-52H,6-18H2,1-5H3/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 | UQIZRRMYTVOQEK-LMKHIEEASA-N |
| Mol Weight | 857.0 g/mol |
| Molecular Formula | C44H72O16 |
| Exact Mass | 856.482036 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LwUBwMqdCYW |
|---|---|
| Name | FILIASPAROSIDE_C;(25-S)-5-BETA-SPIROSTAN-3-BETA-HYDROXY-3-O-BETA-XYLOPYRANOSYL-(1->2)-[ALPHA-RHAMNOPYRANOSYL-(1->4)]-BETA-GLUCOPYRANOSIDE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H72O16 |
| InChI | InChI=1S/C44H72O16/c1-19-8-13-44(54-17-19)20(2)30-28(60-44)15-26-24-7-6-22-14-23(9-11-42(22,4)25(24)10-12-43(26,30)5)56-41-38(59-39-34(50)32(48)27(46)18-53-39)36(52)37(29(16-45)57-41)58-40-35(51)33(49)31(47)21(3)55-40/h19-41,45-52H,6-18H2,1-5H3/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 | UQIZRRMYTVOQEK-LMKHIEEASA-N |
| Literature Reference Author | L.B.ZHOU,T.H.CHEN,K.F.BASTOW,M.SHIBANO,K.H.LEE,D.F.CHEN |
| Literature Reference Citation | J.NAT.PROD.,70,1263(2007) |
| Literature Reference DOI | 10.1021/np070138w |
| Molecular Weight | 857.046 g/mol |
| Sample ID | 31376 |
| Solvent | C5D5N |