SpectraBase Compound ID | 8ik1GcaEDpk |
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InChI | InChI=1S/C31H48O6/c1-26(2,36)12-7-8-19(17-32)20-11-13-28(4)21-9-10-22-29(5,25(35)37-6)23(33)16-24(34)31(22)18-30(21,31)15-14-27(20,28)3/h7,12,17,19-24,33-34,36H,8-11,13-16,18H2,1-6H3/b12-7+/t19-,20+,21-,22-,23-,24-,27+,28-,29-,30-,31+/m0/s1 |
InChIKey | TYVLOHFZVJSLIQ-RYSSIURDSA-N |
Mol Weight | 516.7 g/mol |
Molecular Formula | C31H48O6 |
Exact Mass | 516.345089 g/mol |
SpectraBase Spectrum ID | E300aFwsCY2 |
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Name | METHYL-QUADRANGULARATE-A |
Compound Number | 1 |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C31H48O6 |
InChI | InChI=1S/C31H48O6/c1-26(2,36)12-7-8-19(17-32)20-11-13-28(4)21-9-10-22-29(5,25(35)37-6)23(33)16-24(34)31(22)18-30(21,31)15-14-27(20,28)3/h7,12,17,19-24,33-34,36H,8-11,13-16,18H2,1-6H3/b12-7+/t19-,20+,21-,22-,23-,24-,27+,28-,29-,30-,31+/m0/s1 |
InChIKey | TYVLOHFZVJSLIQ-RYSSIURDSA-N |
Literature Reference Author | A.H.BANSKOTA,Y.TEZUKA,K.Q.TRAN,K.TANAKA,I.SAIKI,S.KADOTA |
Literature Reference Citation | CHEM.PHARM.BULL.,48,496(2000) |
Literature Reference DOI | 10.1248/cpb.48.496 |
Molecular Weight | 516.719 g/mol |
Solvent | CD3OD |
Source File Reference | UWLU4996 |