SpectraBase Compound ID | 23ZKEDVw8wi |
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InChI | InChI=1S/C22H32O6/c1-13-8-6-9-21(4,25)10-7-11-22(5)17(28-22)12-16-14(2)20(24)27-19(16)18(13)26-15(3)23/h7,10,13,16-19,25H,2,6,8-9,11-12H2,1,3-5H3/b10-7-/t13-,16+,17-,18+,19-,21?,22-/m1/s1 |
InChIKey | CGVZYHBETIKAGN-LKOPPGNNSA-N |
Mol Weight | 392.5 g/mol |
Molecular Formula | C22H32O6 |
Exact Mass | 392.219889 g/mol |
SpectraBase Spectrum ID | 4FxDhiGhJQ |
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Name | 12,13-bis[epi-Uprolide] B - Acetate |
Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C22H32O6 |
InChI | InChI=1S/C22H32O6/c1-13-8-6-9-21(4,25)10-7-11-22(5)17(28-22)12-16-14(2)20(24)27-19(16)18(13)26-15(3)23/h7,10,13,16-19,25H,2,6,8-9,11-12H2,1,3-5H3/b10-7-/t13-,16+,17-,18+,19-,21?,22-/m1/s1 |
InChIKey | CGVZYHBETIKAGN-LKOPPGNNSA-N |
Molecular Weight | 392.492 g/mol |
SMILES | OC1(CCC[C@]([C@@]([C@]2([C@](C(=C)C(O2)=O)(C[C@]2(O[C@@]2(C\C=C/1)C)[H])[H])[H])(OC(=O)C)[H])(C)[H])C |
SPLASH | splash10-07pj-8901000000-ba40cf3b0d793479e16e |
Source of Spectrum | G4-61-43-3 |
Wiley ID | 1607043 |