| SpectraBase Spectrum ID |
2kx5du3y034 |
| Name |
Mycaperoxide B (S)-methoxy-.alpha.-(trifluoromethyl)phenylacetate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C35H53F3O7 |
| InChI |
InChI=1S/C35H53F3O7/c1-23-15-16-27-30(3,4)18-12-19-33(27,42)32(23,6)22-21-31(5,41)20-17-26(24(2)28(39)43-7)45-29(40)34(44-8,35(36,37)38)25-13-10-9-11-14-25/h9-11,13-14,23-24,26-27,41-42H,12,15-22H2,1-8H3/t23-,24+,26+,27+,31+,32+,33-,34?/m1/s1 |
| InChIKey |
LXNAUSJTECGIMM-FEJYSPJVSA-N |
| Molecular Weight |
642.797 g/mol |
| SMILES |
O[C@@]12[C@@](CC[C@](CC[C@@]([C@@](C(=O)OC)(C)[H])(OC(C(C(F)(F)F)(c3ccccc3)OC)=O)[H])(O)C)([C@@](CC[C@]1(C(C)(C)CCC2)[H])(C)[H])C |
| SPLASH |
splash10-014i-9000001000-e3916f22ccb3289972cf |
| Source of Spectrum |
J-58-3002-18 |
| Synonyms |
methyl (2S,3S,6R)-8-[(1S,2R,4aS,8aR)-8a-hydroxy-1,2,5,5-tetramethyldecahydro-1-naphthalenyl]-6-hydroxy-2,6-dimethyl-3-[(3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl)oxy]octanoate |
| Wiley ID |
1412740 |
