![Methyl (6'Z,10'Z)-1'-(Isocopal-12-en-15-yl)-12'-[(t-butyldiphenylsilyl)oxy]-3'-hydroxy-6',10'-dimethyldodeca-6',10'-diene-2'-carboxylate](/api/spectrum/3LNlTQmqmtb/structure.png?h=300&w=458 "Methyl (6'Z,10'Z)-1'-(Isocopal-12-en-15-yl)-12'-[(t-butyldiphenylsilyl)oxy]-3'-hydroxy-6',10'-dimethyldodeca-6',10'-diene-2'-carboxylate")
| SpectraBase Compound ID | FXifptf4Jqy |
|---|---|
| InChI | InChI=1S/C52H78O4Si/c1-38(20-18-21-39(2)33-37-56-57(49(4,5)6,41-22-14-12-15-23-41)42-24-16-13-17-25-42)26-30-45(53)43(48(54)55-11)28-29-44-40(3)27-31-47-51(44,9)36-32-46-50(7,8)34-19-35-52(46,47)10/h12-17,20,22-25,27,33,43-47,53H,18-19,21,26,28-32,34-37H2,1-11H3/b38-20-,39-33-/t43?,44-,45?,46+,47+,51+,52+/m0/s1 |
| InChIKey | GWZLWXGWPZOQKM-BKEANGSUSA-N |
| Mol Weight | 795.3 g/mol |
| Molecular Formula | C52H78O4Si |
| Exact Mass | 794.566938 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3LNlTQmqmtb |
|---|---|
| Name | Methyl (6'Z,10'Z)-1'-(Isocopal-12-en-15-yl)-12'-[(t-butyldiphenylsilyl)oxy]-3'-hydroxy-6',10'-dimethyldodeca-6',10'-diene-2'-carboxylate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C52H78O4Si |
| InChI | InChI=1S/C52H78O4Si/c1-38(20-18-21-39(2)33-37-56-57(49(4,5)6,41-22-14-12-15-23-41)42-24-16-13-17-25-42)26-30-45(53)43(48(54)55-11)28-29-44-40(3)27-31-47-51(44,9)36-32-46-50(7,8)34-19-35-52(46,47)10/h12-17,20,22-25,27,33,43-47,53H,18-19,21,26,28-32,34-37H2,1-11H3/b38-20-,39-33-/t43?,44-,45?,46+,47+,51+,52+/m0/s1 |
| InChIKey | GWZLWXGWPZOQKM-BKEANGSUSA-N |
| Molecular Weight | 795.277 g/mol |
| SMILES | OC(C(CC[C@@]1([C@@]2([C@]([C@]3([C@](C(CCC3)(C)C)([H])CC2)C)(CC=C1C)[H])C)[H])C(=O)OC)CC\C(=C/CC\C(=C/CO[Si](C(C)(C)C)(c1ccccc1)c1ccccc1)C)C |
| SPLASH | splash10-0002-0900000000-3d76f66995a3e71de5da |
| Source of Spectrum | PS-54-115-27 |
| Wiley ID | 805199 |