SpectraBase Compound ID | F9GagBxaEoZ |
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InChI | InChI=1S/C39H58O10/c1-20(2)21(3)10-11-23(34(46)49-35-33(45)32(44)31(43)27(19-40)48-35)30-26(47-22(4)41)18-39(9)25-12-13-28-36(5,6)29(42)15-16-37(28,7)24(25)14-17-38(30,39)8/h12,14,20,23,26-28,30-33,35,40,43-45H,3,10-11,13,15-19H2,1-2,4-9H3/t23-,26+,27+,28-,30-,31+,32-,33+,35-,37+,38+,39-/m0/s1 |
InChIKey | IKPJJKUNGRXSOG-CVPVRZLGSA-N |
Mol Weight | 686.9 g/mol |
Molecular Formula | C39H58O10 |
Exact Mass | 686.402998 g/mol |
SpectraBase Spectrum ID | IHUQgXEhpRF |
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Name | DAEDALEASIDE_B;16-ALPHA-ACETOXY-24-METHYLENE-3-OXOLANOSTA-7,9(11)-DIEN-21-OIC_ACID_21-O-BETA-D-GLUCOPYRANOSIDE |
Compound Number | 3 |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C39H58O10 |
InChI | InChI=1S/C39H58O10/c1-20(2)21(3)10-11-23(34(46)49-35-33(45)32(44)31(43)27(19-40)48-35)30-26(47-22(4)41)18-39(9)25-12-13-28-36(5,6)29(42)15-16-37(28,7)24(25)14-17-38(30,39)8/h12,14,20,23,26-28,30-33,35,40,43-45H,3,10-11,13,15-19H2,1-2,4-9H3/t23-,26+,27+,28-,30-,31+,32-,33+,35-,37+,38+,39-/m0/s1 |
InChIKey | IKPJJKUNGRXSOG-CVPVRZLGSA-N |
Literature Reference Author | K.YOSHIKAWA,K.KOUSO,J.TAKAHASHI,A.MATSUDA,M.OKAZOE,A.UMEYAMA ,S.ARIHARA |
Literature Reference Citation | J.NAT.PROD.,68,911(2005) |
Literature Reference DOI | 10.1021/np058024c |
Molecular Weight | 686.884 g/mol |
Solvent | C5D5N |
Source File Reference | UWMZ11617 |