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(8xi,9xi,14xi)-11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl 4-[(cyclohexylmethyl)amino]-4-oxobutanoate

Catalog ID
STL528909
SMILES O=C(CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=CC(=O)C=C[C@]12C)NCC1CCCCC1

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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 C32H45NO7 MW 555.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H45NO7/c1-30-14-12-22(34)16-21(30)8-9-23-24-13-15-32(39,31(24,2)17-25(35)29(23)30)26(36)19-40-28(38)11-10-27(37)33-18-20-6-4-3-5-7-20/h12,14,16,20,23-25,29,35,39H,3-11,13,15,17-19H2,1-2H3,(H,33,37)/t23?,24?,25?,29?,30-,31-,32-/m0/s1
InChIKey
CPWQPDILTSXIIH-RCERHIQZSA-N
Synonyms

(2((10~(R)13~(S)17~(R))1117dihydroxy1013dimethyl3oxo7891112141516octahydro6~(H)cyclopenta(a)phenanthren17yl)2oxoethyl)4(cyclohexylmethylamino)4oxobutanoate
(8xi9xi14xi)1117dihydroxy320dioxopregna14dien21yl4((cyclohexylmethyl)amino)4oxobutanoate
16404094
2((10R13S17R)1117dihydroxy1013dimethyl3oxo67891011121314151617dodecahydro3Hcyclopenta(a)phenanthren17yl)2oxoethyl4((cyclohexylmethyl)amino)4oxobutanoate
InChI=1SC32H45NO7c130141222(34)1621(30)892324131532(3931(242)1725(35)29(23)30)26(36)194028(38)111027(37)3318206435720h121416202325293539H31113151719H212H3(H3337)t23?24?25?29?303132m0s1
MFCD05726276
O=C(CCC(=O)OCC(=O)(C@@)1(O)CCC2(C@)1(C)CC(O)C1C2CCC2=CC(=O)C=C(C@)12C)NCC1CCCCC1
ZINC000070699963
ZINC000253504451

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Available files

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