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3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-3-[(4-{[(8xi,9xi,14xi)-17-hydroxy-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)amino]propanoic acid

Catalog ID
STL527281
SMILES O=C(NC(C1CCOC(C1)(C)C)CC(=O)O)CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CCC1C2CCC2=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 C35H51NO9 MW 629.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H51NO9/c1-32(2)19-21(12-16-45-32)27(18-30(40)41)36-29(39)7-8-31(42)44-20-28(38)35(43)15-11-26-24-6-5-22-17-23(37)9-13-33(22,3)25(24)10-14-34(26,35)4/h17,21,24-27,43H,5-16,18-20H2,1-4H3,(H,36,39)(H,40,41)/t21?,24?,25?,26?,27?,33-,34-,35-/m0/s1
InChIKey
SAGTYQQFMCLHSQ-MBBPYOSLSA-N
Synonyms

3(22dimethyloxan4yl)3((4(2((10~(R)13~(S)17~(R))17hydroxy1013dimethyl3oxo267891112141516decahydro1~(H)cyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanoyl)amino)propanoicacid
3(22dimethyltetrahydro2Hpyran4yl)3((4(((8xi9xi14xi)17hydroxy320dioxopregn4en21yl)oxy)4oxobutanoyl)amino)propanoicacid
3(22dimethyltetrahydro2Hpyran4yl)3(4(2((8R9S10R13S14S17R)17hydroxy1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanamido)propanoicacid
44662843
InChI=1SC35H51NO9c132(2)1921(12164532)27(1830(40)41)3629(39)7831(42)442028(38)35(43)1511262465221723(37)91333(223)25(24)101434(2635)4h1721242743H5161820H214H3(H3639)(H4041)t21?24?25?26?27?333435m0s1
MFCD03267816
O=C(NC(C1CCOC(C1)(C)C)CC(=O)O)CCC(=O)OCC(=O)(C@@)1(O)CC(C@@H)2(C@)1(C)CC(C@H)1(C@H)2CCC2=CC(=O)CC(C@)12C
ZINC000253506268
ZINC000253506279

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Available files

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