| SpectraBase Spectrum ID |
EUKl9ovVvWN |
| Name |
Acetic acid, [2-[4-(2-bromo-4-methyl-3-oxo-1-nonen-6-ynyl)hexahydro-5-[(tetrahydro-2H-pyran-2-yl)oxy]-2(1H)-pentalenylidene]ethoxy]-, 1,1-dimethylethyl ester, [3aS-[2E,3a.alpha.,4.alpha.(R*),5.beta.,6a.alpha.]]- |
| CAS Registry Number |
106937-28-4 |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C31H45BrO6 |
| InChI |
InChI=1S/C31H45BrO6/c1-6-7-8-11-21(2)30(34)26(32)19-25-24-17-22(13-15-35-20-28(33)38-31(3,4)5)16-23(24)18-27(25)37-29-12-9-10-14-36-29/h13,19,21,23-25,27,29H,6,9-12,14-18,20H2,1-5H3/b22-13+,26-19-/t21?,23?,24?,25?,27?,29-/m0/s1 |
| InChIKey |
LGNGVAJOFKKCQI-QYQPOSBNSA-N |
| Molecular Weight |
593.599 g/mol |
| SMILES |
C1(\C=C\(C(=O)C(CC#CCC)C)Br)C2C(C\C(C2)=C/COCC(OC(C)(C)C)=O)CC1O[C@@]1(OCCCC1)[H] |
| SPLASH |
splash10-0a4l-9000000000-a37b91e9b24b5b2ce78e |
| Source of Spectrum |
J-53-1229-2 |
| Synonyms |
tert-Butyl {[(2E)-2-(4-[(1Z)-2-bromo-4-methyl-3-oxo-1-nonen-6-ynyl]-5-[(2S)-tetrahydro-2H-pyran-2-yloxy]hexahydro-2(1H)-pentalenylidene)ethyl]oxy}acetate |
| Wiley ID |
1409484 |
![Acetic acid, [2-[4-(2-bromo-4-methyl-3-oxo-1-nonen-6-ynyl)hexahydro-5-[(tetrahydro-2H-pyran-2-yl)oxy]-2(1H)-pentalenylidene]ethoxy]-, 1,1-dimethylethyl ester, [3aS-[2E,3a.alpha.,4.alpha.(R*),5.beta.,6a.alpha.]]-](/api/spectrum/EUKl9ovVvWN/structure.png?h=300&w=458 "Acetic acid, [2-[4-(2-bromo-4-methyl-3-oxo-1-nonen-6-ynyl)hexahydro-5-[(tetrahydro-2H-pyran-2-yl)oxy]-2(1H)-pentalenylidene]ethoxy]-, 1,1-dimethylethyl ester, [3aS-[2E,3a.alpha.,4.alpha.(R*),5.beta.,6a.alpha.]]-")
