| SpectraBase Compound ID | ILUxMMpusic |
|---|---|
| InChI | InChI=1S/C56H94O29/c1-20(18-75-49-43(71)39(67)36(64)30(14-57)78-49)7-10-56(74)21(2)34-29(85-56)12-25-23-6-5-22-11-28(26(61)13-55(22,4)24(23)8-9-54(25,34)3)77-51-45(73)41(69)46(33(17-60)81-51)82-53-48(84-52-44(72)40(68)37(65)31(15-58)79-52)47(38(66)32(16-59)80-53)83-50-42(70)35(63)27(62)19-76-50/h20-53,57-74H,5-19H2,1-4H3/t20-,21+,22+,23-,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-,51+,52+,53+,54+,55+,56-/m1/s1 |
| InChIKey | PYVSHVUPVKOSBE-OOCLITTNSA-N |
| Mol Weight | 1231.3 g/mol |
| Molecular Formula | C56H94O29 |
| Exact Mass | 1230.588077 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J4t2xT6R1qw |
|---|---|
| Name | PARVISPINOSIDE_A;#1;(25-R)-26-O-BETA-D-GLUCOPYRANOSYL-5-ALPHA-FUROSTAN-2-ALPHA,3-BETA,22-ALPHA,26-TETRAOL_3-O-{BETA-D-GALACTOPYRANOSYL-(1->2)-O-[BETA-D-XYLOP |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C56H94O29 |
| InChI | InChI=1S/C56H94O29/c1-20(18-75-49-43(71)39(67)36(64)30(14-57)78-49)7-10-56(74)21(2)34-29(85-56)12-25-23-6-5-22-11-28(26(61)13-55(22,4)24(23)8-9-54(25,34)3)77-51-45(73)41(69)46(33(17-60)81-51)82-53-48(84-52-44(72)40(68)37(65)31(15-58)79-52)47(38(66)32(16-59)80-53)83-50-42(70)35(63)27(62)19-76-50/h20-53,57-74H,5-19H2,1-4H3/t20-,21+,22+,23-,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-,51+,52+,53+,54+,55+,56-/m1/s1 |
| InChIKey | PYVSHVUPVKOSBE-OOCLITTNSA-N |
| Literature Reference Author | A.PERRONE,A.PLAZA,E.BLOISE,P.NIGRO,A.I.HAMED,M.A.BELISARIO,C .PIZZA,S.PIACENTE |
| Literature Reference Citation | J.NAT.PROD.,68,1549(2005) |
| Literature Reference DOI | 10.1021/np0502138 |
| Molecular Weight | 1231.345 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ13021 |