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(9R,10S,13S,17R)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-(3-oxopentanoyl)-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl propanoate (non-preferred name)

Catalog ID
STL525440
SMILES CCC(=O)O[C@@]1(C(C)CC2[C@]1(C)CC(O)[C@]1(C2CCC2=CC(=O)C=C[C@]12C)F)C(=O)CC(=O)CC

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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 C28H37FO6 MW 488.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H37FO6/c1-6-18(30)14-22(32)28(35-24(34)7-2)16(3)12-21-20-9-8-17-13-19(31)10-11-25(17,4)27(20,29)23(33)15-26(21,28)5/h10-11,13,16,20-21,23,33H,6-9,12,14-15H2,1-5H3/t16?,20?,21?,23?,25-,26-,27-,28-/m0/s1
InChIKey
OZDRZGPTHDUNEK-VBJGFYKQSA-N
Synonyms

((9~(R)10~(S)13~(S)17~(R))9fluoro11hydroxy101316trimethyl3oxo17(3oxopentanoyl)6781112141516octahydrocyclopenta(a)phenanthren17yl)propanoate
(8S9R10S11S13S14S17R)9fluoro11hydroxy101316trimethyl3oxo17(3oxopentanoyl)67891011121314151617dodecahydro3Hcyclopenta(a)phenanthren17ylpropionate
(9R10S13S17R)9fluoro11hydroxy101316trimethyl3oxo17(3oxopentanoyl)67891011121314151617dodecahydro3Hcyclopenta(a)phenanthren17ylpropanoate(nonpreferredname)
135639057
CCC(=O)O(C@@)1(C(C)C(C@@H)2(C@)1(C)C(C@H)(O)(C@)1((C@H)2CCC2=CC(=O)C=C(C@)12C)F)C(=O)CC(=O)CC
InChI=1SC28H37FO6c1618(30)1422(32)28(3524(34)72)16(3)12212098171319(31)101125(174)27(2029)23(33)1526(2128)5h1011131620212333H69121415H215H3t16?20?21?23?25262728m0s1
MFCD01544739
ZINC000003882045
ZINC001772491961

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.

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