![Methyl (2'E,6'Z)-1'-(Isocopal-12-en-15-yl)-8'-[(t-butyldiphenylsilyl)oxy]-6'-methylocta-2',6'-diene-2'-carboxylate](/api/spectrum/IHLFPlaZGSM/structure.png?h=300&w=458 "Methyl (2'E,6'Z)-1'-(Isocopal-12-en-15-yl)-8'-[(t-butyldiphenylsilyl)oxy]-6'-methylocta-2',6'-diene-2'-carboxylate")
| SpectraBase Compound ID | AD2gcjk2Vxd |
|---|---|
| InChI | InChI=1S/C47H68O3Si/c1-35(30-34-50-51(44(3,4)5,38-21-13-11-14-22-38)39-23-15-12-16-24-39)19-17-20-37(43(48)49-10)26-27-40-36(2)25-28-42-46(40,8)33-29-41-45(6,7)31-18-32-47(41,42)9/h11-16,20-25,30,40-42H,17-19,26-29,31-34H2,1-10H3/b35-30-,37-20+/t40-,41+,42+,46+,47+/m0/s1 |
| InChIKey | NMYKRXQIYSKZJO-NVZOECGJSA-N |
| Mol Weight | 709.1 g/mol |
| Molecular Formula | C47H68O3Si |
| Exact Mass | 708.493773 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | IHLFPlaZGSM |
|---|---|
| Name | Methyl (2'E,6'Z)-1'-(Isocopal-12-en-15-yl)-8'-[(t-butyldiphenylsilyl)oxy]-6'-methylocta-2',6'-diene-2'-carboxylate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C47H68O3Si |
| InChI | InChI=1S/C47H68O3Si/c1-35(30-34-50-51(44(3,4)5,38-21-13-11-14-22-38)39-23-15-12-16-24-39)19-17-20-37(43(48)49-10)26-27-40-36(2)25-28-42-46(40,8)33-29-41-45(6,7)31-18-32-47(41,42)9/h11-16,20-25,30,40-42H,17-19,26-29,31-34H2,1-10H3/b35-30-,37-20+/t40-,41+,42+,46+,47+/m0/s1 |
| InChIKey | NMYKRXQIYSKZJO-NVZOECGJSA-N |
| Molecular Weight | 709.143 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/CO[Si](C(C)(C)C)(c1ccccc1)c1ccccc1)C)[H])C)[H])C |
| SPLASH | splash10-0002-0941001000-f8b90d0467ef471daedd |
| Source of Spectrum | PS-54-116-28 |
| Wiley ID | 805198 |