| SpectraBase Compound ID | 3C4bq1fiI9p |
|---|---|
| InChI | InChI=1S/C54H90O24/c1-49(2)16-23-22-8-9-29-51(5)12-11-30(78-48-42(68)38(64)34(60)27(77-48)20-72-46-40(66)36(62)32(58)25(18-56)75-46)50(3,4)28(51)10-13-53(29,7)52(22,6)14-15-54(23,44(70)43(49)69)21-73-47-41(67)37(63)33(59)26(76-47)19-71-45-39(65)35(61)31(57)24(17-55)74-45/h8,23-48,55-70H,9-21H2,1-7H3/t23-,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-,51-,52+,53+,54-/m0/s1 |
| InChIKey | HIJRKMUFXJHYQA-OKCKNHLGSA-N |
| Mol Weight | 1123.3 g/mol |
| Molecular Formula | C54H90O24 |
| Exact Mass | 1122.582204 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HFYCGjZcR2r |
|---|---|
| Name | SORBIFOLIASIDE-I;3-O-BETA-D-GLUCOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSYL-SANICULAGENIN-C-28-O-BETA-D-GLUCOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H90O24 |
| InChI | InChI=1S/C54H90O24/c1-49(2)16-23-22-8-9-29-51(5)12-11-30(78-48-42(68)38(64)34(60)27(77-48)20-72-46-40(66)36(62)32(58)25(18-56)75-46)50(3,4)28(51)10-13-53(29,7)52(22,6)14-15-54(23,44(70)43(49)69)21-73-47-41(67)37(63)33(59)26(76-47)19-71-45-39(65)35(61)31(57)24(17-55)74-45/h8,23-48,55-70H,9-21H2,1-7H3/t23-,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-,51-,52+,53+,54-/m0/s1 |
| InChIKey | HIJRKMUFXJHYQA-OKCKNHLGSA-N |
| Literature Reference Author | L.YU,X.TANG,L.CHEN,M.WANG,J.JIAN,S.CAO,X.WANG,N.KANG,F.QIU |
| Literature Reference Citation | FITOTERAPIA,83,1636(2012) |
| Literature Reference DOI | 10.1016/j.fitote.2012.09.015 |
| Molecular Weight | 1123.294 g/mol |
| Sample ID | 72121 |
| Solvent | C5D5N |