SpectraBase Compound ID | IgDcizg7xrc |
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InChI | InChI=1S/C49H82O20/c1-21-31(56)38(68-41-36(61)34(59)32(57)25(17-50)65-41)39(69-42-37(62)35(60)33(58)26(18-51)66-42)43(64-21)67-30-10-11-45(4)27(46(30,5)19-52)9-12-47(6)40(45)24(63-8)13-22-23-14-44(2,3)28(54)16-49(23,20-53)29(55)15-48(22,47)7/h13,21,23-43,50-62H,9-12,14-20H2,1-8H3/t21?,23?,24-,25?,26?,27?,28-,29+,30+,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41?,42?,43?,45+,46+,47-,48-,49-/m1/s1 |
InChIKey | UZGGFJILQOZPHW-SSZUCKTLSA-N |
Mol Weight | 991.2 g/mol |
Molecular Formula | C49H82O20 |
Exact Mass | 990.539945 g/mol |
SpectraBase Spectrum ID | 8Li6uvlPyNe |
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Name | ClINOPODISIDE-F;3-BETA,16-BETA,21-ALPHA,23,28-PENTAHYDROXY-11-METHOXYOLEAN-12-EN-3-YL-[BETA-D-GLUCOPYRANOSYL-(1->2)]-[BETA-D-GLUCOPYRANOSYL-(1->3)] |
Compound Number | 3 |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C49H82O20 |
InChI | InChI=1S/C49H82O20/c1-21-31(56)38(68-41-36(61)34(59)32(57)25(17-50)65-41)39(69-42-37(62)35(60)33(58)26(18-51)66-42)43(64-21)67-30-10-11-45(4)27(46(30,5)19-52)9-12-47(6)40(45)24(63-8)13-22-23-14-44(2,3)28(54)16-49(23,20-53)29(55)15-48(22,47)7/h13,21,23-43,50-62H,9-12,14-20H2,1-8H3/t21?,23?,24-,25?,26?,27?,28-,29+,30+,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41?,42?,43?,45+,46+,47-,48-,49-/m1/s1 |
InChIKey | UZGGFJILQOZPHW-SSZUCKTLSA-N |
Literature Reference Author | Z.LIU,D.LI,N.L.OWEN,D.M.GRANT,R.G.CATES,Z.JIA |
Literature Reference Citation | J.NAT.PROD.,58,1600(1995) |
Literature Reference DOI | 10.1021/np50124a021 |
Molecular Weight | 991.178 g/mol |
Solvent | C5D5N |
Source File Reference | UWSP10121 |