Vitas-M small molecule compound
(2''R,5'R,5''R,6''S,8a''S)-6''-hydroxy-5''-(hydroxymethyl)-2'',5'',8a''-trimethyldecahydro-2''H-dispiro[furan-3,2'-furan-5',1''-naphthalen]-5(4H)-one
Catalog ID
STK028488
SMILES OC[C@]1(C)[C@@H](O)CC[C@]2(C1CC[C@H]([C@@]12CCC2(O1)COC(=O)C2)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 C20H32O5 MW 352.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H32O5/c1-13-4-5-14-17(2,11-21)15(22)6-7-18(14,3)20(13)9-8-19(25-20)10-16(23)24-12-19/h13-15,21-22H,4-12H2,1-3H3/t13-,14?,15+,17+,18+,19?,20-/m1/s1InChIKey
XCEIXRWKIFQZDC-GNQMFGHGSA-NSynonyms
1212429-32-7(1R2R5R6S8aS)6hydroxy5(hydroxymethyl)258atrimethyloctahydro2Hdispiro(naphthalene1253bis(oxolane))5one
(2R5R5R6S8AS)6HYDROXY5(HYDROXYMETHYL)258ATRIMETHYLDECAHYDRO2HDISPIRO(FURAN32FURAN51NAPHTHALEN)5(4H)ONE
1212429327
CC1CCC2C(C13CCC4(O3)CC(=O)OC4)(CCC(C2(C)CO)O)C
InChI=1SC20H32O5c113451417(21121)15(22)6718(143)20(13)9819(2520)1016(23)241219h13152122H412H213H3t1314?15+17+18+19?20m1s1
MFCD01544724
OC(C@)1(C)(C@@H)(O)CC(C@)2(C1CC(C@H)((C@@)12CCC2(O1)COC(=O)C2)C)C
STK028488
ZINC000003881377
ZINC000003881380
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