Vitas-M small molecule compound
{(2''R,5'R,5''R,6''S,8a''S)-2'',5'',8a''-trimethyl-5-oxo-6''-[(phenylcarbonyl)oxy]dodecahydro-2''H-dispiro[furan-3,2'-furan-5',1''-naphthalen]-5''-yl}methyl benzoate
Catalog ID
STL524742
SMILES O=C1OCC2(C1)CC[C@@]1(O2)[C@H](C)CCC2[C@]1(C)CC[C@@H]([C@@]2(C)COC(=O)c1ccccc1)OC(=O)c1ccccc1
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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 C34H40O7 MW 560.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H40O7/c1-23-14-15-26-31(2,21-39-29(36)24-10-6-4-7-11-24)27(40-30(37)25-12-8-5-9-13-25)16-17-32(26,3)34(23)19-18-33(41-34)20-28(35)38-22-33/h4-13,23,26-27H,14-22H2,1-3H3/t23-,26?,27+,31+,32+,33?,34-/m1/s1InChIKey
FUHDTXWXTYECAT-STDVVWHOSA-NSynonyms
((2R5R5R6S8aS)258atrimethyl5oxo6((phenylcarbonyl)oxy)dodecahydro2Hdispiro(furan32furan51naphthalen)5yl)methylbenzoate
(1~(S)9~(S))11(2hydroxy3phenoxypropyl)711diazatricyclo(7310^(27))trideca24dien6one
(1R2R5R5S6S8aS)5((benzoyloxy)methyl)258atrimethyl5oxooctahydro2Hdispiro(naphthalene1253bis(oxolane))6ylbenzoate
44664344
InChI=1SC20H24N2O3c2317(1425185213618)13211015916(1221)1974820(24)22(19)1115h18151723H914H2t151617?m0s1
MFCD01081656
O=C1OC(C@@)2(C1)CC(C@@)1(O2)(C@H)(C)CCC2(C@)1(C)CC(C@@H)((C@@)2(C)COC(=O)c1ccccc1)OC(=O)c1ccccc1
ZINC000070692416
ZINC000103531959
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