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(8xi,9xi,14xi)-17-hydroxy-3,11,20-trioxopregn-4-en-21-yl 4-oxo-4-[(pyridin-3-ylmethyl)amino]butanoate

Catalog ID
STL528158
SMILES O=C(NCc1cccnc1)CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(=O)C1C2CCC2=CC(=O)CC[C@]12C

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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 C31H38N2O7 MW 550.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H38N2O7/c1-29-11-9-21(34)14-20(29)5-6-22-23-10-12-31(39,30(23,2)15-24(35)28(22)29)25(36)18-40-27(38)8-7-26(37)33-17-19-4-3-13-32-16-19/h3-4,13-14,16,22-23,28,39H,5-12,15,17-18H2,1-2H3,(H,33,37)/t22?,23?,28?,29-,30-,31-/m0/s1
InChIKey
PUTRIRNZUJSQOS-PLJKWBCJSA-N
Synonyms

(2((10~(R)13~(S)17~(R))17hydroxy1013dimethyl311dioxo12678912141516decahydrocyclopenta(a)phenanthren17yl)2oxoethyl)4oxo4(pyridin3ylmethylamino)butanoate
(8xi9xi14xi)17hydroxy31120trioxopregn4en21yl4oxo4((pyridin3ylmethyl)amino)butanoate
2((8S9S10R13S14S17R)17hydroxy1013dimethyl311dioxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethyl4oxo4((pyridin3ylmethyl)amino)butanoate
44664493
InChI=1SC31H38N2O7c12911921(34)1420(29)562223101231(3930(232)1524(35)28(22)29)25(36)184027(38)8726(37)3317194313321619h3413141622232839H512151718H212H3(H3337)t22?23?28?293031m0s1
MFCD03849928
O=C(NCc1cccnc1)CCC(=O)OCC(=O)(C@@)1(O)CC(C@@H)2(C@)1(C)CC(=O)(C@H)1(C@H)2CCC2=CC(=O)CC(C@)12C
ZINC000253502700
ZINC000253502708

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Available files

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