Vitas-M small molecule compound
(2alpha,3alpha,5alpha,8xi,9xi,14xi,16alpha,17alpha)-2,3:16,17-diepoxyandrostan-17-yl acetate
Catalog ID
STL526559
SMILES CC(=O)O[C@@]12O[C@@H]1CC1[C@]2(C)CCC2C1CC[C@@H]1[C@]2(C)C[C@H]2O[C@H]2C1
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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 C21H30O4 MW 346.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H30O4/c1-11(22)24-21-18(25-21)9-15-13-5-4-12-8-16-17(23-16)10-19(12,2)14(13)6-7-20(15,21)3/h12-18H,4-10H2,1-3H3/t12-,13?,14?,15?,16-,17+,18+,19-,20-,21+/m0/s1InChIKey
AEFVYXKODUCZPV-BHEZJQLBSA-NSynonyms
((2~(S)4~(R)6~(S)8~(S)14~(R)16~(R)17~(S))217dimethyl515dioxahexacyclo(9800^(28)0^(46)0^(1217)0^(1416))nonadecan16yl)acetate
(2alpha3alpha5alpha8xi9xi14xi16alpha17alpha)231617diepoxyandrostan17ylacetate
(2S4R6S8S11R14R16R17S)217dimethyl515dioxahexacyclo(9800^(28)0^(46)0^(1217)0^(1416))nonadecan16ylacetate
135639176
CC(=O)O(C@@)12O(C@@H)1CC1(C@)2(C)CCC2(C@H)1CC(C@@H)1(C@)2(C)C(C@H)2O(C@H)2C1
InChI=1SC21H30O4c111(22)242118(2521)91513541281617(2316)1019(122)14(13)6720(1521)3h1218H410H213H3t1213?14?15?1617+18+192021+m0s1
MFCD02926013
ZINC000004081278
ZINC000005639422
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