Vitas-M small molecule compound

(6,8,9-trimethyl-3-oxaspiro[bicyclo[3.3.1]nonane-2,1'-cyclopentane]-7-en-5-yl)methyl acetate

Catalog ID
STL560880
SMILES CC(=O)OCC12COC3(C(C2C)C(=CC1C)C)CCCC3

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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 C18H28O3 MW 292.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H28O3/c1-12-9-13(2)17(10-20-15(4)19)11-21-18(7-5-6-8-18)16(12)14(17)3/h9,13-14,16H,5-8,10-11H2,1-4H3
InChIKey
DNFFPEBVRBASNE-UHFFFAOYSA-N
Synonyms

((1S5R6R9S)689trimethyl3oxaspiro(bicyclo(331)non(7)ene21cyclopentan)5yl)methylacetate
(689trimethyl3oxaspiro(bicyclo(331)nonane21cyclopentane)7en5yl)methylacetate
(689TRIMETHYL3OXASPIRO(BICYCLO(331)NONANE41CYCLOPENTANE)6ENYL)METHYLACETATE
(689trimethylspiro(3oxabicyclo(331)non6ene41cyclopentane)1yl)methylacetate
3771312
CC(=O)OCC12COC3(C((C@@H)2C)C(=CC1C)C)CCCC3
InChI=1SC18H28O3c112913(2)17(102015(4)19)112118(756818)16(12)14(17)3h9131416H581011H214H3
MFCD01025655
ZINC000000121104
ZINC000005529064

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.