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(8xi,9xi,14xi,17alpha)-11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl 4-oxo-4-[(thiophen-3-ylmethyl)amino]butanoate

Catalog ID
STL553050
SMILES O=C(NCc1cscc1)CCC(=O)OCC(=O)C1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=CC(=O)C=C[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 C30H37NO7S MW 555.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H37NO7S/c1-28-10-7-20(32)13-19(28)3-4-21-22-8-11-30(37,29(22,2)14-23(33)27(21)28)24(34)16-38-26(36)6-5-25(35)31-15-18-9-12-39-17-18/h7,9-10,12-13,17,21-23,27,33,37H,3-6,8,11,14-16H2,1-2H3,(H,31,35)/t21?,22?,23?,27?,28-,29-,30?/m0/s1
InChIKey
VKBOHJHIWYNRGG-JKIDWRITSA-N
Synonyms

(2((10~(R)13~(S))1117dihydroxy1013dimethyl3oxo7891112141516octahydro6~(H)cyclopenta(a)phenanthren17yl)2oxoethyl)4oxo4(thiophen3ylmethylamino)butanoate
(8xi9xi14xi17alpha)1117dihydroxy320dioxopregna14dien21yl4oxo4((thiophen3ylmethyl)amino)butanoate
2((8S9S10R11S13S14S17R)1117dihydroxy1013dimethyl3oxo67891011121314151617dodecahydro3Hcyclopenta(a)phenanthren17yl)2oxoethyl4oxo4((thiophen3ylmethyl)amino)butanoate
44665991
InChI=1SC30H37NO7Sc12810720(32)1319(28)34212281130(3729(222)1423(33)27(21)28)24(34)163826(36)6525(35)311518912391718h79101213172123273337H368111416H212H3(H3135)t21?22?23?27?282930?m0s1
O=C(NCc1cscc1)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)C=C(C@)12C
ZINC000253502018
ZINC000253502023

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Available files

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