Vitas-M small molecule compound
(5alpha,6alpha,8xi,9xi,14xi)-17-oxo-5,6-epoxyandrostan-3-yl acetate
Catalog ID
STL525535
SMILES CC(=O)OC1CC[C@]2([C@@]3(C1)O[C@H]3CC1C2CC[C@]2(C1CCC2=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 C21H30O4 MW 346.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H30O4/c1-12(22)24-13-6-9-20(3)16-7-8-19(2)15(4-5-17(19)23)14(16)10-18-21(20,11-13)25-18/h13-16,18H,4-11H2,1-3H3/t13?,14?,15?,16?,18-,19-,20+,21-/m0/s1InChIKey
RUQCGCWODJEVJZ-QJFSHVQMSA-NSynonyms
((2~(R)7~(R)9~(S)16~(S))216dimethyl15oxo8oxapentacyclo(9700^(27)0^(79)0^(1216))octadecan5yl)acetate
(4aR5aS9aS11bR)9a11bdimethyl9oxohexadecahydrocyclopenta(12)phenanthro(8a9b)oxiren3ylacetate
(5alpha6alpha8xi9xi14xi)17oxo56epoxyandrostan3ylacetate
16395629
CC(=O)OC1CC(C@)2((C@@)3(C1)O(C@H)3CC1C2CC(C@)2(C1CCC2=O)C)C
InChI=1SC21H30O4c112(22)24136920(3)167819(2)15(4517(19)23)14(16)101821(201113)2518h131618H411H213H3t13?14?15?16?181920+21m0s1
MFCD01545760
ZINC000004025698
ZINC000253499948
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