Vitas-M small molecule compound

3-acetyl-3,8,8-trimethyl-2,7-dioxaspiro[4.4]nonane-1,6-dione

Catalog ID
STK835990
SMILES O=C1OC(CC21CC(OC2=O)(C)C)(C)C(=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 C12H16O5 MW 240.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H16O5/c1-7(13)11(4)6-12(9(15)17-11)5-10(2,3)16-8(12)14/h5-6H2,1-4H3
InChIKey
IKFFQIXHTZRUGX-UHFFFAOYSA-N
Synonyms
380587-51-9
380587519
3acetyl388trimethyl27dioxaspiro(44)nonane16dione
7ACETYL227TRIMETHYL38DIOXASPIRO(44)NONANE49DIONE
CC(=O)C1(CC2(CC(OC2=O)(C)C)C(=O)O1)C
InChI=1SC12H16O5c17(13)11(4)612(9(15)1711)510(23)168(12)14h56H214H3
MFCD02736227
ZINC000000319605
ZINC000000319609

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Available files

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