SpectraBase Compound ID | qnPiIDsIec |
---|---|
InChI | InChI=1S/C67H106O31/c1-12-26(2)56(86)97-52-50(83)60(95-34(51(52)91-28(4)70)24-88-58-48(81)45(78)41(74)32(22-69)93-58)96-38-16-17-64(9)35(63(38,7)8)15-18-65(10)36(64)14-13-29-30-19-62(5,6)54(84)55(85)67(30,37(71)20-66(29,65)11)25-89-61-53(98-59-49(82)43(76)39(72)27(3)90-59)46(79)42(75)33(94-61)23-87-57-47(80)44(77)40(73)31(21-68)92-57/h12-13,27,30-36,38-55,57-61,68-69,72-85H,14-25H2,1-11H3/b26-12+/t27-,30-,31+,32+,33+,34+,35-,36+,38-,39-,40+,41+,42+,43+,44-,45-,46-,47+,48+,49+,50+,51+,52+,53+,54-,55-,57+,58+,59-,60-,61+,64-,65+,66+,67-/m0/s1 |
InChIKey | VBBUYRCPLXOYDR-JBJKTRJPSA-N |
Mol Weight | 1407.6 g/mol |
Molecular Formula | C67H106O31 |
Exact Mass | 1406.671807 g/mol |
SpectraBase Spectrum ID | LDdjbdyOkub |
---|---|
Name | #2;SORBIFOLIASIDE-H;3-O-BETA-D-GLUCOPYRANOSYL-(1->6)-(3-O-ANGELOYL-4-O-ACETYL)-BETA-D-GLUCOPYRANOSYL-SANICULAGENIN-C-28-O-[[ALPHA-L-RHAMNOPYRANOSYL-(1->2)]-[BE |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C67H106O31 |
InChI | InChI=1S/C67H106O31/c1-12-26(2)56(86)97-52-50(83)60(95-34(51(52)91-28(4)70)24-88-58-48(81)45(78)41(74)32(22-69)93-58)96-38-16-17-64(9)35(63(38,7)8)15-18-65(10)36(64)14-13-29-30-19-62(5,6)54(84)55(85)67(30,37(71)20-66(29,65)11)25-89-61-53(98-59-49(82)43(76)39(72)27(3)90-59)46(79)42(75)33(94-61)23-87-57-47(80)44(77)40(73)31(21-68)92-57/h12-13,27,30-36,38-55,57-61,68-69,72-85H,14-25H2,1-11H3/b26-12+/t27-,30-,31+,32+,33+,34+,35-,36+,38-,39-,40+,41+,42+,43+,44-,45-,46-,47+,48+,49+,50+,51+,52+,53+,54-,55-,57+,58+,59-,60-,61+,64-,65+,66+,67-/m0/s1 |
InChIKey | VBBUYRCPLXOYDR-JBJKTRJPSA-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 | 1407.560 g/mol |
Sample ID | 72120 |
Solvent | C5D5N |