| SpectraBase Compound ID | 7Oyn5fEdx9e |
|---|---|
| InChI | InChI=1S/C50H80O20/c1-21-31(54)33(56)35(58)42(65-21)64-20-50-24(16-45(3,4)18-30(50)66-22(2)52)23-10-11-27-47(7)14-13-29(46(5,6)26(47)12-15-48(27,8)49(23,9)17-28(50)53)68-44-38(61)39(37(60)40(70-44)41(62)63)69-43-36(59)34(57)32(55)25(19-51)67-43/h10,21,24-40,42-44,51,53-61H,11-20H2,1-9H3,(H,62,63)/t21-,24+,25-,26+,27-,28+,29+,30+,31-,32-,33+,34+,35+,36-,37+,38-,39+,40+,42+,43+,44-,47+,48-,49-,50+/m1/s1 |
| InChIKey | ZKKZNNXAUQZQOY-ZTVKRHHZSA-N |
| Mol Weight | 1001.2 g/mol |
| Molecular Formula | C50H80O20 |
| Exact Mass | 1000.524295 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7IYp9YXQ8J7 |
|---|---|
| Name | ALTERNOSIDE-I;CHICHIPEGENIN-22-O-ACETYL-3-O-BETA-D-GLUCOPYRANOSYL-(1->3)-BETA-D-GLUCURONOPYRANOSYL-28-O-ALPHA-L-RHAMNOPYRANOSIDE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H80O20 |
| InChI | InChI=1S/C50H80O20/c1-21-31(54)33(56)35(58)42(65-21)64-20-50-24(16-45(3,4)18-30(50)66-22(2)52)23-10-11-27-47(7)14-13-29(46(5,6)26(47)12-15-48(27,8)49(23,9)17-28(50)53)68-44-38(61)39(37(60)40(70-44)41(62)63)69-43-36(59)34(57)32(55)25(19-51)67-43/h10,21,24-40,42-44,51,53-61H,11-20H2,1-9H3,(H,62,63)/t21-,24+,25-,26+,27-,28+,29+,30+,31-,32-,33+,34+,35+,36-,37+,38-,39+,40+,42+,43+,44-,47+,48-,49-,50+/m1/s1 |
| InChIKey | ZKKZNNXAUQZQOY-ZTVKRHHZSA-N |
| Literature Reference Author | K.YOSHIKAWA,H.OGATA,S.ARIHARA,H.C.CHANG,J.D.WANG |
| Literature Reference Citation | CHEM.PHARM.BULL.,46,1102(1998) |
| Literature Reference DOI | 10.1248/cpb.46.1102 |
| Molecular Weight | 1001.173 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS6567 |