SpectraBase Compound ID | IjAwrj04S0s |
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InChI | InChI=1S/C57H92O28/c1-24(2)14-17-33(77-7)41(66)40(65)31(62)13-9-12-29-18-32(63)38(28(6)39(29)64)27(5)11-8-10-26(4)30(61)16-15-25(3)22-78-55-50(75)53(45(70)37(83-55)23-79-54-48(73)46(71)42(67)34(19-58)80-54)85-57-51(76)52(44(69)36(21-60)82-57)84-56-49(74)47(72)43(68)35(20-59)81-56/h8-11,13-15,17-18,24,27-28,30-38,40-63,65-76H,12,16,19-23H2,1-7H3/b11-8+,13-9+,17-14+,25-15-,26-10+/t27-,28+,30+,31-,32-,33-,34-,35-,36-,37+,38+,40-,41-,42-,43-,44-,45+,46+,47+,48-,49-,50+,51-,52+,53-,54-,55+,56+,57+/m0/s1 |
InChIKey | KXUPLWPZGIDPMZ-LETCQWJXSA-N |
Mol Weight | 1225.3 g/mol |
Molecular Formula | C57H92O28 |
Exact Mass | 1224.577512 g/mol |
SpectraBase Spectrum ID | Ldo7T8HWRJH |
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Name | WOODWARDINOSIDE-C;WOODWARDINE-C-10'-O-[BETA-D-GLUCOPYRANOSYL-(1->6)]-BETA-D-GLUCOPYRANOSYL-(1->3)-BETA-D-GLUCOPYRANOSYL-(1->3)-BETA-D-GLUCOPYRANOSI |
Compound Number | 2 |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C57H92O28 |
InChI | InChI=1S/C57H92O28/c1-24(2)14-17-33(77-7)41(66)40(65)31(62)13-9-12-29-18-32(63)38(28(6)39(29)64)27(5)11-8-10-26(4)30(61)16-15-25(3)22-78-55-50(75)53(45(70)37(83-55)23-79-54-48(73)46(71)42(67)34(19-58)80-54)85-57-51(76)52(44(69)36(21-60)82-57)84-56-49(74)47(72)43(68)35(20-59)81-56/h8-11,13-15,17-18,24,27-28,30-38,40-63,65-76H,12,16,19-23H2,1-7H3/b11-8+,13-9+,17-14+,25-15-,26-10+/t27-,28+,30+,31-,32-,33-,34-,35-,36-,37+,38+,40-,41-,42-,43-,44-,45+,46+,47+,48-,49-,50+,51-,52+,53-,54-,55+,56+,57+/m0/s1 |
InChIKey | KXUPLWPZGIDPMZ-LETCQWJXSA-N |
Literature Reference Author | T.REZANKA,V.M.DEMBITSKY,L.O.HANUS |
Literature Reference Citation | PHYTOCHEM.,63,931(2003) |
Literature Reference DOI | 10.1016/S0031-9422(03)00358-3 |
Molecular Weight | 1225.341 g/mol |
Solvent | C5D5N:CD3OD=1:1 |
Source File Reference | UWMS28439 |