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(8xi,9xi,11beta,14xi)-11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl 4-{[2-(2,2-dimethyl-4-phenyltetrahydro-2H-pyran-4-yl)ethyl]amino}-4-oxobutanoate

Catalog ID
STL526943
SMILES O=C(OCC(=O)[C@@]1(O)CCC2[C@]1(C)C[C@H](O)C1C2CCC2=CC(=O)CC[C@]12C)CCC(=O)NCCC1(CCOC(C1)(C)C)c1ccccc1

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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 C40H55NO8 MW 677.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C40H55NO8/c1-36(2)25-39(19-21-49-36,26-8-6-5-7-9-26)18-20-41-33(45)12-13-34(46)48-24-32(44)40(47)17-15-30-29-11-10-27-22-28(42)14-16-37(27,3)35(29)31(43)23-38(30,40)4/h5-9,22,29-31,35,43,47H,10-21,23-25H2,1-4H3,(H,41,45)/t29?,30?,31-,35?,37-,38-,
InChIKey
ARRUWGUXCIWXKQ-OGUJLWFSSA-N
Synonyms

(2((10~(R)11~(S)13~(S)17~(R))1117dihydroxy1013dimethyl3oxo267891112141516decahydro1~(H)cyclopenta(a)phenanthren17yl)2oxoethyl)4(2(22dimethyl4phenyloxan4yl)ethylamino)4oxobutanoate
(8xi9xi11beta14xi)1117dihydroxy320dioxopregn4en21yl4((2(22dimethyl4phenyltetrahydro2Hpyran4yl)ethyl)amino)4oxobutanoate
44662561
InChI=1SC40H55NO8c136(2)2539(19214936268657926)18204133(45)121334(46)482432(44)40(47)171530291110272228(42)141637(273)35(29)31(43)2338(3040)4h59222931354347H10212325H214H3(H4145)t29?30?3135?373839?40m0s1
MFCD03005765
O=C(OCC(=O)(C@@)1(O)CC(C@@H)2(C@)1(C)C(C@H)(O)(C@H)1(C@H)2CCC2=CC(=O)CC(C@)12C)CCC(=O)NCCC1(CCOC(C1)(C)C)c1ccccc1
ZINC000253504113
ZINC000253504131

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Available files

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