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

Catalog ID
STL002360
SMILES O=C(CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=CC(=O)CC[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 C32H47NO7 MW 557.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H47NO7/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/h16,20,23-25,29,35,39H,3-15,17-19H2,1-2H3,(H,33,37)/t23?,24?,25?,29?,30-,31-,32-/m0/s1
InChIKey
CNOMDEXAFZBSGL-RCERHIQZSA-N
Synonyms

(2((10R13S17R)1117dihydroxy1013dimethyl3oxo267891112141516decahydro1Hcyclopenta(a)phenanthren17yl)2oxoethyl)4(cyclohexylmethylamino)4oxobutanoate
(8xi9xi14xi)1117dihydroxy320dioxopregn4en21yl4((cyclohexylmethyl)amino)4oxobutanoate
2((8S9S10R11S13S14S17R)1117dihydroxy1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethyl4((cyclohexylmethyl)amino)4oxobutanoate
CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)COC(=O)CCC(=O)NCC5CCCCC5)O)C)O
InChI=1SC32H47NO7c130141222(34)1621(30)892324131532(3931(242)1725(35)29(23)30)26(36)194028(38)111027(37)3318206435720h16202325293539H3151719H212H3(H3337)t23?24?25?29?303132m0s1
MFCD07205199
O=C(CCC(=O)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)NCC1CCCCC1
O=C(CCC(=O)OCC(=O)(C@@)1(O)CCC2(C@)1(C)CC(O)C1C2CCC2=CC(=O)CC(C@)12C)NCC1CCCCC1
ZINC000253501719
ZINC000253501725

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Available files

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