| SpectraBase Compound ID | 4i8JcVJfDAi |
|---|---|
| InChI | InChI=1S/C40H60O16/c1-17(14-41)40(50)33-31(56-39(40,4)49)26(34(48)55-33)23-8-7-21-20-6-5-18-13-19(9-11-37(18,2)22(20)10-12-38(21,23)3)52-36-30(47)32(28(45)25(15-42)53-36)54-35-29(46)27(44)24(43)16-51-35/h7,17-19,23-33,35-36,41-47,49-50H,5-6,8-16H2,1-4H3/t17?,18-,19-,23+,24+,25+,26?,27-,28+,29+,30+,31?,32-,33?,35-,36+,37-,38-,39+,40+/m0/s1 |
| InChIKey | YVYBPUYCXQWKNF-HQZRXMLISA-N |
| Mol Weight | 796.9 g/mol |
| Molecular Formula | C40H60O16 |
| Exact Mass | 796.388136 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3e9JrrtsPBA |
|---|---|
| Name | VERNIONIOSIDE-F2;3-BETA,24-BETA,26,28-ALPHA-TETRAHYDROXY-22,28-EPOXY-5-ALPHA-STIGMASTA-8(9),14(15)-DIEN-21,23-LACTONE-3-O-BETA-D-XYLOPYRANOSYL-(1-> |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H60O16 |
| InChI | InChI=1S/C40H60O16/c1-17(14-41)40(50)33-31(56-39(40,4)49)26(34(48)55-33)23-8-7-21-20-6-5-18-13-19(9-11-37(18,2)22(20)10-12-38(21,23)3)52-36-30(47)32(28(45)25(15-42)53-36)54-35-29(46)27(44)24(43)16-51-35/h7,17-19,23-33,35-36,41-47,49-50H,5-6,8-16H2,1-4H3/t17?,18-,19-,23+,24+,25+,26?,27-,28+,29+,30+,31?,32-,33?,35-,36+,37-,38-,39+,40+/m0/s1 |
| InChIKey | YVYBPUYCXQWKNF-HQZRXMLISA-N |
| Literature Reference Author | R.SANOGO,M.P.GERMANO,N.D.TOMMASI,C.PIZZA,R.AQUINO |
| Literature Reference Citation | PHYTOCHEM.,47,73(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(97)00477-9 |
| Molecular Weight | 796.907 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWSI4844 |