![21-HYDROXYSYCOPHANTINE;(25R)-3-BETA-[O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-[O-BETA-D-XYLOPYRANOSYL-(1->2)-O-ALPHA-L-RHAMNOPYRANOSYL-(1->4)]-BETA-D-GLUCO](/api/spectrum/5neP2AGXod/structure.png?h=300&w=458 "21-HYDROXYSYCOPHANTINE;(25R)-3-BETA-[O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-[O-BETA-D-XYLOPYRANOSYL-(1->2)-O-ALPHA-L-RHAMNOPYRANOSYL-(1->4)]-BETA-D-GLUCO")
| SpectraBase Compound ID | 9CV1FkwVcdn |
|---|---|
| InChI | InChI=1S/C50H81NO20/c1-20-8-13-50(51-16-20)28(17-52)32-30(71-50)15-27-25-7-6-23-14-24(9-11-48(23,4)26(25)10-12-49(27,32)5)66-47-43(70-45-39(61)36(58)33(55)21(2)64-45)40(62)41(31(18-53)67-47)68-46-42(37(59)34(56)22(3)65-46)69-44-38(60)35(57)29(54)19-63-44/h6,20-22,24-47,51-62H,7-19H2,1-5H3/t20-,21-,22-,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+/m0/s1 |
| InChIKey | AAXCNACZLXEEAS-INIWKRRSSA-N |
| Mol Weight | 1016.2 g/mol |
| Molecular Formula | C50H81NO20 |
| Exact Mass | 1015.535194 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5neP2AGXod |
|---|---|
| Name | 21-HYDROXYSYCOPHANTINE;(25R)-3-BETA-[O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-[O-BETA-D-XYLOPYRANOSYL-(1->2)-O-ALPHA-L-RHAMNOPYRANOSYL-(1->4)]-BETA-D-GLUCO |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H81NO20 |
| InChI | InChI=1S/C50H81NO20/c1-20-8-13-50(51-16-20)28(17-52)32-30(71-50)15-27-25-7-6-23-14-24(9-11-48(23,4)26(25)10-12-49(27,32)5)66-47-43(70-45-39(61)36(58)33(55)21(2)64-45)40(62)41(31(18-53)67-47)68-46-42(37(59)34(56)22(3)65-46)69-44-38(60)35(57)29(54)19-63-44/h6,20-22,24-47,51-62H,7-19H2,1-5H3/t20-,21-,22-,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+/m0/s1 |
| InChIKey | AAXCNACZLXEEAS-INIWKRRSSA-N |
| Literature Reference Author | A.USUBILLAGA,I.AZIZ,M.C.TETTAMANZI,R.WAIBEL,H.ACHENBACH |
| Literature Reference Citation | PHYTOCHEM.,44,537(1997) |
| Literature Reference DOI | 10.1016/S0031-9422(96)00586-9 |
| Molecular Weight | 1016.188 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWPA173 |