SpectraBase Compound ID | 1cl9hs2Pyee |
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InChI | InChI=1S/C39H60O12/c1-21(2)36-26(7)31(49-33(42)16-15-32(40)41)20-39(46,51-36)28(9)35(44)27(8)37-29(47-10)14-12-13-22(3)17-24(5)34(43)25(6)18-23(4)19-30(48-11)38(45)50-37/h12-16,18-19,21,24-29,31,34-37,43-44,46H,17,20H2,1-11H3,(H,40,41)/b14-12+,16-15+,22-13+,23-18+,30-19-/t24-,25+,26+,27-,28-,29-,31-,34-,35+,36-,37+,39-/m0/s1 |
InChIKey | WUDBXVQNMOTFEE-CZZXLCTDSA-N |
Mol Weight | 720.9 g/mol |
Molecular Formula | C39H60O12 |
Exact Mass | 720.408477 g/mol |
SpectraBase Spectrum ID | H6zciKCt6V9 |
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Name | WUDBXVQNMOTFEE-CZZXLCTDSA-N |
Compound Number | 1 |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C39H60O12 |
InChI | InChI=1S/C39H60O12/c1-21(2)36-26(7)31(49-33(42)16-15-32(40)41)20-39(46,51-36)28(9)35(44)27(8)37-29(47-10)14-12-13-22(3)17-24(5)34(43)25(6)18-23(4)19-30(48-11)38(45)50-37/h12-16,18-19,21,24-29,31,34-37,43-44,46H,17,20H2,1-11H3,(H,40,41)/b14-12+,16-15+,22-13+,23-18+,30-19-/t24-,25+,26+,27-,28-,29-,31-,34-,35+,36-,37+,39-/m0/s1 |
InChIKey | WUDBXVQNMOTFEE-CZZXLCTDSA-N |
Literature Reference Author | S.S.MOON,W.H.HWANG,Y.R.CHUNG,S.SHIN |
Literature Reference Citation | J.ANTIBIOTICS,56,856(2003) |
Literature Reference DOI | 10.7164/antibiotics.56.856 |
Molecular Weight | 720.898 g/mol |
Solvent | METHANOL-D4 |
Source File Reference | UWKP3050 |