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(8xi,14xi,16alpha)-9-fluoro-16-methyl-3,20-dioxopregna-1,4-diene-11,17,21-triyl trihexanoate

Catalog ID
STL565397
SMILES CCCCCC(=O)OCC(=O)[C@@]1(OC(=O)CCCCC)[C@H](C)CC2[C@]1(C)CC(OC(=O)CCCCC)[C@]1(C2CCC2=CC(=O)C=C[C@]12C)F

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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 C40H59FO8 MW 686.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C40H59FO8/c1-7-10-13-16-34(44)47-26-32(43)40(49-36(46)18-15-12-9-3)27(4)23-31-30-20-19-28-24-29(42)21-22-37(28,5)39(30,41)33(25-38(31,40)6)48-35(45)17-14-11-8-2/h21-22,24,27,30-31,33H,7-20,23,25-26H2,1-6H3/t27-,30?,31?,33?,37+,38+,39+,40+/m1/s1
InChIKey
XLSDZSJYKYDEJV-QJHNVKSSSA-N
Synonyms

(2((9R10S13S16R17R)9fluoro1117di(hexanoyloxy)101316trimethyl3oxo6781112141516octahydrocyclopenta(a)phenanthren17yl)2oxoethyl)hexanoate
(8S9R10S11S13S14S16R17R)9fluoro17(2(hexanoyloxy)acetyl)101316trimethyl3oxo67891011121314151617dodecahydro3Hcyclopenta(a)phenanthrene1117diyldihexanoate
(8xi14xi16alpha)9fluoro16methyl320dioxopregna14diene111721triyltrihexanoate
44661895
CCCCCC(=O)OCC(=O)(C@@)1(OC(=O)CCCCC)(C@H)(C)C(C@@H)2(C@)1(C)C(C@H)(OC(=O)CCCCC)(C@)1((C@H)2CCC2=CC(=O)C=C(C@)12C)F
InChI=1SC40H59FO8c1710131634(44)472632(43)40(4936(46)18151293)27(4)2331302019282429(42)212237(285)39(3041)33(2538(3140)6)4835(45)17141182h21222427303133H720232526H216H3t2730?31?33?37+38+39+40+m1s1
ZINC000254522808
ZINC000254522841

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Available files

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