SpectraBase Compound ID | GUtwcjnkljN |
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InChI | InChI=1S/C39H46O20/c1-18-32(53-19(2)40)34(55-21(4)42)37(57-23(6)44)39(52-18)59-35-33(54-20(3)41)30(17-51-31(49)12-9-24-7-10-26(45)28(47)15-24)58-38(36(35)56-22(5)43)50-14-13-25-8-11-27(46)29(48)16-25/h7-12,15-16,18,30,32-39,45-48H,13-14,17H2,1-6H3/b12-9+/t18-,30-,32-,33-,34+,35+,36-,37+,38-,39-/m0/s1 |
InChIKey | UWRBLCYSBSBEEZ-BAQGPKHJSA-N |
Mol Weight | 834.8 g/mol |
Molecular Formula | C39H46O20 |
Exact Mass | 834.258244 g/mol |
SpectraBase Spectrum ID | 7B7HQsDWItg |
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Name | ISOVERBACOSIDE-PENTAACETATE |
Compound Number | 17 |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C39H46O20 |
InChI | InChI=1S/C39H46O20/c1-18-32(53-19(2)40)34(55-21(4)42)37(57-23(6)44)39(52-18)59-35-33(54-20(3)41)30(17-51-31(49)12-9-24-7-10-26(45)28(47)15-24)58-38(36(35)56-22(5)43)50-14-13-25-8-11-27(46)29(48)16-25/h7-12,15-16,18,30,32-39,45-48H,13-14,17H2,1-6H3/b12-9+/t18-,30-,32-,33-,34+,35+,36-,37+,38-,39-/m0/s1 |
InChIKey | UWRBLCYSBSBEEZ-BAQGPKHJSA-N |
Literature Reference Author | M.R.KERNAN,A.AMARQUAYE,J.L.CHEN,J.CHAN,D.F.SESIN,N.PARKINSON ,Z.J.YE,M.BARRETT,C. |
Literature Reference Citation | J.NAT.PROD.,61,564(1998) |
Literature Reference DOI | 10.1021/np9703914 |
Molecular Weight | 834.782 g/mol |
Solvent | CDCl3 |
Source File Reference | UWMZ593 |