Vitas-M small molecule compound
(3S,4S,9aS,9bR)-3,6,9-trimethyl-2,7-dioxo-2,3,3a,4,5,7,9a,9b-octahydroazuleno[4,5-b]furan-4-yl acetate
Catalog ID
STL564706
SMILES CC(=O)O[C@H]1CC(=C2[C@@H]([C@@H]3C1[C@H](C)C(=O)O3)C(=CC2=O)C)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 C17H20O5 MW 304.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H20O5/c1-7-5-11(19)13-8(2)6-12(21-10(4)18)15-9(3)17(20)22-16(15)14(7)13/h5,9,12,14-16H,6H2,1-4H3/t9-,12-,14-,15?,16+/m0/s1InChIKey
QONYNSMAVSRIRD-SHVWVCQGSA-NSynonyms
((3S4S9aS9bR)369trimethyl27dioxo33a459a9bhexahydroazuleno(45b)furan4yl)acetate
(3S4S9aS9bR)369trimethyl27dioxo233a4579a9boctahydroazuleno(45b)furan4ylacetate
(3S4S9bR)369trimethyl27dioxo233a4579a9boctahydroazuleno(45b)furan4ylacetate
139292029
8HYDROXY2OXO1(10)3GUAIADIENE126OLIDEAC
CC(=O)O(C@H)1CC(=C2C((C@@H)3C1(C@H)(C)C(=O)O3)C(=CC2=O)C)C
InChI=1SC17H20O5c17511(19)138(2)612(2110(4)18)159(3)17(20)2216(15)14(7)13h59121416H6H214H3t9121415?16+m0s1
MFCD32651545
ZINC000006018862
ZINC000100742694
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