| SpectraBase Spectrum ID |
KXqsHsOT3qz |
| Name |
3-Cyclohexene-1,2-diol, 4-[5-(acetyloxy)-3-methyl-3-penten-1-ynyl]-3,5,5-trimethyl-, 1-acetate, [1S-[1.alpha.,2.alpha.,4(E)]]- |
| CAS Registry Number |
80736-64-7 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C19H26O5 |
| InChI |
InChI=1S/C19H26O5/c1-12(9-10-23-14(3)20)7-8-16-13(2)18(22)17(24-15(4)21)11-19(16,5)6/h9,17-18,22H,10-11H2,1-6H3/b12-9+/t17-,18+/m0/s1 |
| InChIKey |
AGDLSMBKNNEKBI-HZOVXUMNSA-N |
| Molecular Weight |
334.412 g/mol |
| SMILES |
O[C@@]1(C(=C(C#C\C(=C\COC(=O)C)C)C(C[C@@]1(OC(=O)C)[H])(C)C)C)[H] |
| SPLASH |
splash10-006y-7690000000-8f4d859c9b2d3012686c |
| Source of Spectrum |
H-64-2415-0 |
| Synonyms |
(2E)-5-[(3R,4S)-4-(acetyloxy)-3-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl]-3-methyl-2-penten-4-ynyl acetate
[4-((E)-5-acetoxy-3-methyl-3-penten-1-inyl)-2-hydroxy-3,5,5-trimethyl-3-cyclohexen-1-yl]ester of (1S,2S)-acetic acid |
| Wiley ID |
1330969 |
![3-Cyclohexene-1,2-diol, 4-[5-(acetyloxy)-3-methyl-3-penten-1-ynyl]-3,5,5-trimethyl-, 1-acetate, [1S-[1.alpha.,2.alpha.,4(E)]]-](/api/spectrum/KXqsHsOT3qz/structure.png?h=300&w=458 "3-Cyclohexene-1,2-diol, 4-[5-(acetyloxy)-3-methyl-3-penten-1-ynyl]-3,5,5-trimethyl-, 1-acetate, [1S-[1.alpha.,2.alpha.,4(E)]]-")
