Vitas-M small molecule compound
(8xi,9xi,14xi,16alpha)-17-hydroxy-16-methyl-20-oxopregn-5-en-3-yl dihydrogen phosphate
Catalog ID
STL525637
SMILES C[C@@H]1CC2[C@]([C@@]1(O)C(=O)C)(C)CCC1C2CC=C2[C@]1(C)CCC(C2)OP(=O)(O)O
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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 C22H35O6P MW 426.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H35O6P/c1-13-11-19-17-6-5-15-12-16(28-29(25,26)27)7-9-20(15,3)18(17)8-10-21(19,4)22(13,24)14(2)23/h5,13,16-19,24H,6-12H2,1-4H3,(H2,25,26,27)/t13-,16?,17?,18?,19?,20+,21+,22+/m1/s1InChIKey
FKBKGSILHZSWAK-GJXPHQBMSA-NSynonyms
((10~(R)13~(S)16~(R)17~(R))17acetyl17hydroxy101316trimethyl12347891112141516dodecahydrocyclopenta(a)phenanthren3yl)dihydrogenphosphate
(10R13S16R17R)17acetyl17hydroxy101316trimethyl2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren3yldihydrogenphosphate
(8xi9xi14xi16alpha)17hydroxy16methyl20oxopregn5en3yldihydrogenphosphate
16395574
C(C@@H)1CC2(C@)((C@@)1(O)C(=O)C)(C)CCC1C2CC=C2(C@)1(C)CCC(C2)OP(=O)(O)O
InChI=1SC22H35O6Pc11311191765151216(2829(2526)27)7920(153)18(17)81021(194)22(1324)14(2)23h513161924H612H214H3(H2252627)t1316?17?18?19?20+21+22+m1s1
MFCD01545522
ZINC000005528241
ZINC000253499349
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