Vitas-M small molecule compound
(4S,6R,6aR,9aR,9bR)-6-hydroxy-6,9-dimethyl-3-methylidene-2-oxo-2,3,3a,4,5,6,6a,7,9a,9b-decahydroazuleno[4,5-b]furan-4-yl acetate
Catalog ID
STL566366
SMILES CC(=O)O[C@H]1C[C@@](C)(O)[C@H]2[C@@H]([C@@H]3C1C(=C)C(=O)O3)C(=CC2)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 C17H22O5 MW 306.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H22O5/c1-8-5-6-11-13(8)15-14(9(2)16(19)22-15)12(21-10(3)18)7-17(11,4)20/h5,11-15,20H,2,6-7H2,1,3-4H3/t11-,12+,13+,14?,15-,17-/m1/s1InChIKey
XMJROHDIQQOWTO-JVAPBGNNSA-NSynonyms
((4S6R6aR9aR9bR)6hydroxy69dimethyl3methylidene2oxo456a79a9bhexahydro3aHazuleno(45b)furan4yl)acetate
(4S6R6aR9aR9bR)6hydroxy69dimethyl3methylidene2oxo233a4566a79a9bdecahydroazuleno(45b)furan4ylacetate
(4S6R9bR)6hydroxy69dimethyl3methylene2oxo233a4566a79a9bdecahydroazuleno(45b)furan4ylacetate
18552548
CC(=O)O(C@H)1C(C@@)(C)(O)C2C((C@@H)3C1C(=C)C(=O)O3)C(=CC2)C
InChI=1SC17H22O5c18561113(8)1514(9(2)16(19)2215)12(2110(3)18)717(114)20h5111520H267H2134H3t1112+13+14?1517m1s1
MFCD32651892
ZINC000004027543
ZINC000004322873
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