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

Catalog ID
STL528982
SMILES O=C(NC(c1ccccc1)C)CCC(=O)OCC(=O)[C@@]1(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 C33H41NO7 MW 563.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H41NO7/c1-20(21-7-5-4-6-8-21)34-28(38)11-12-29(39)41-19-27(37)33(40)16-14-25-24-10-9-22-17-23(35)13-15-31(22,2)30(24)26(36)18-32(25,33)3/h4-8,13,15,17,20,24-26,30,36,40H,9-12,14,16,18-19H2,1-3H3,(H,34,38)/t20?,24?,25?,26?,30?,31-,32-,33-/m0/s1
InChIKey
YMUSWRDMHRSIMU-HFOGWLNMSA-N
Synonyms

(2((10~(R)13~(S)17~(R))1117dihydroxy1013dimethyl3oxo7891112141516octahydro6~(H)cyclopenta(a)phenanthren17yl)2oxoethyl)4oxo4(1phenylethylamino)butanoate
(8xi9xi14xi)1117dihydroxy320dioxopregna14dien21yl4oxo4((1phenylethyl)amino)butanoate
16404637
2((10R13S17R)1117dihydroxy1013dimethyl3oxo67891011121314151617dodecahydro3Hcyclopenta(a)phenanthren17yl)2oxoethyl4oxo4((1phenylethyl)amino)butanoate
InChI=1SC33H41NO7c120(217546821)3428(38)111229(39)411927(37)33(40)16142524109221723(35)131531(222)30(24)26(36)1832(2533)3h48131517202426303640H91214161819H213H3(H3438)t20?24?25?26?30?313233m0s1
MFCD05734064
O=C(NC(c1ccccc1)C)CCC(=O)OCC(=O)(C@@)1(O)CCC2(C@)1(C)CC(O)C1C2CCC2=CC(=O)C=C(C@)12C
ZINC000253506837
ZINC000253506844

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Available files

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