Vitas-M small molecule compound
(4-butyl-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl)methyl acetate
Catalog ID
STL560789
SMILES CCCCC1OCC2(C(C1C(=CC2C)C)C)COC(=O)C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C18H30O3 MW 294.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H30O3/c1-6-7-8-16-17-12(2)9-13(3)18(11-21-16,14(17)4)10-20-15(5)19/h9,13-14,16-17H,6-8,10-11H2,1-5H3InChIKey
PTOBLQWYQHCBCQ-UHFFFAOYSA-NSynonyms
((1S5R9R)4butyl689trimethyl3oxabicyclo(331)non6en1yl)methylacetate
(4butyl689trimethyl3oxabicyclo(331)non6en1yl)methylacetate
3793828
CCCCC1OC(C@)2(C((C@H)1C(=CC2C)C)C)COC(=O)C
InChI=1SC18H30O3c1678161712(2)913(3)18(11211614(17)4)102015(5)19h913141617H681011H215H3
MFCD01025647
ZINC000107122855
ZINC000504217295
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