| SpectraBase Compound ID | J8MUquHyOjx |
|---|---|
| InChI | InChI=1S/C61H96O27/c1-11-25(2)51(78)88-48-46(75)55(86-32(47(48)82-26(3)64)23-80-53-44(73)41(70)38(67)30(21-63)84-53)87-36-15-16-58(8)33(57(36,6)7)14-17-59(9)34(58)13-12-27-28-18-56(4,5)49(76)50(77)61(28,35(65)19-60(27,59)10)24-81-54-45(74)42(71)39(68)31(85-54)22-79-52-43(72)40(69)37(66)29(20-62)83-52/h11-12,28-34,36-50,52-55,62-63,66-77H,13-24H2,1-10H3/b25-11-/t28-,29+,30+,31+,32+,33-,34+,36-,37+,38+,39+,40-,41-,42-,43+,44+,45+,46+,47+,48+,49-,50-,52+,53+,54+,55-,58-,59+,60+,61-/m0/s1 |
| InChIKey | IOQVOKFRELLHCK-FKGVUNDISA-N |
| Mol Weight | 1261.4 g/mol |
| Molecular Formula | C61H96O27 |
| Exact Mass | 1260.613898 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DmbSjpjsAOW |
|---|---|
| Name | #4;SORBIFOLIASIDE-J;3-O-BETA-D-GLUCOPYRANOSYL-(1->6)-(3-O-ANGELOYL-4-O-ACETYL)-BETA-D-GLUCOPYRANOSYL-16-OXO-SANICULAGENIN-C-28-O-BETA-D-GLUCOPYRANOSYL-(1->6)-B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C61H96O27 |
| InChI | InChI=1S/C61H96O27/c1-11-25(2)51(78)88-48-46(75)55(86-32(47(48)82-26(3)64)23-80-53-44(73)41(70)38(67)30(21-63)84-53)87-36-15-16-58(8)33(57(36,6)7)14-17-59(9)34(58)13-12-27-28-18-56(4,5)49(76)50(77)61(28,35(65)19-60(27,59)10)24-81-54-45(74)42(71)39(68)31(85-54)22-79-52-43(72)40(69)37(66)29(20-62)83-52/h11-12,28-34,36-50,52-55,62-63,66-77H,13-24H2,1-10H3/b25-11-/t28-,29+,30+,31+,32+,33-,34+,36-,37+,38+,39+,40-,41-,42-,43+,44+,45+,46+,47+,48+,49-,50-,52+,53+,54+,55-,58-,59+,60+,61-/m0/s1 |
| InChIKey | IOQVOKFRELLHCK-FKGVUNDISA-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 | 1261.417 g/mol |
| Sample ID | 72122 |
| Solvent | C5D5N |