![Methyl (2'E,6'Z,10'Z)-1'-(Isocopal-12-en-15-yl)-12'-[(t-butyldiphenylsilyl)oxy]-6',10'-dimethyldodeca-2',6',10'-triene-2'-carboxylate](/api/spectrum/L59SAeHsEJL/structure.png?h=300&w=458 "Methyl (2'E,6'Z,10'Z)-1'-(Isocopal-12-en-15-yl)-12'-[(t-butyldiphenylsilyl)oxy]-6',10'-dimethyldodeca-2',6',10'-triene-2'-carboxylate")
| SpectraBase Compound ID | 9K3g4ui8IqN |
|---|---|
| InChI | InChI=1S/C52H76O3Si/c1-39(21-18-22-40(2)34-38-55-56(49(4,5)6,43-25-14-12-15-26-43)44-27-16-13-17-28-44)23-19-24-42(48(53)54-11)30-31-45-41(3)29-32-47-51(45,9)37-33-46-50(7,8)35-20-36-52(46,47)10/h12-17,21,24-29,34,45-47H,18-20,22-23,30-33,35-38H2,1-11H3/b39-21-,40-34-,42-24+/t45-,46+,47+,51+,52+/m0/s1 |
| InChIKey | GKMVXFLATIEMLP-OIJMCJGBSA-N |
| Mol Weight | 777.3 g/mol |
| Molecular Formula | C52H76O3Si |
| Exact Mass | 776.556373 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | L59SAeHsEJL |
|---|---|
| Name | Methyl (2'E,6'Z,10'Z)-1'-(Isocopal-12-en-15-yl)-12'-[(t-butyldiphenylsilyl)oxy]-6',10'-dimethyldodeca-2',6',10'-triene-2'-carboxylate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C52H76O3Si |
| InChI | InChI=1S/C52H76O3Si/c1-39(21-18-22-40(2)34-38-55-56(49(4,5)6,43-25-14-12-15-26-43)44-27-16-13-17-28-44)23-19-24-42(48(53)54-11)30-31-45-41(3)29-32-47-51(45,9)37-33-46-50(7,8)35-20-36-52(46,47)10/h12-17,21,24-29,34,45-47H,18-20,22-23,30-33,35-38H2,1-11H3/b39-21-,40-34-,42-24+/t45-,46+,47+,51+,52+/m0/s1 |
| InChIKey | GKMVXFLATIEMLP-OIJMCJGBSA-N |
| Molecular Weight | 777.262 g/mol |
| SMILES | [C@]12([C@]([C@]3([C@](C(C)(C)CCC3)([H])CC1)C)(CC=C([C@@]2(CC\C(C(=O)OC)=C/CC\C(=C/CC\C(=C/CO[Si](C(C)(C)C)(c1ccccc1)c1ccccc1)C)C)[H])C)[H])C |
| SPLASH | splash10-0002-0920100200-1deeefe7593c3ddb2f87 |
| Source of Spectrum | PS-54-116-28 |
| Wiley ID | 805197 |