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3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-3-[(4-{[(8xi,9xi,14xi)-17-hydroxy-3,11,20-trioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)amino]propanoic acid

Catalog ID
STL529063
SMILES O=C(NC(C1CCOC(C1)(C)C)CC(=O)O)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 C35H49NO10 MW 643.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H49NO10/c1-32(2)17-20(11-14-46-32)25(16-29(41)42)36-28(40)7-8-30(43)45-19-27(39)35(44)13-10-24-23-6-5-21-15-22(37)9-12-33(21,3)31(23)26(38)18-34(24,35)4/h15,20,23-25,31,44H,5-14,16-19H2,1-4H3,(H,36,40)(H,41,42)/t20?,23?,24?,25?,31?,33-,34-,35-
InChIKey
ZXPONUVYXCVYFQ-PKRTZRRCSA-N
Synonyms

16404291
3(22dimethyloxan4yl)3((4(2((10~(R)13~(S)17~(R))17hydroxy1013dimethyl311dioxo12678912141516decahydrocyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanoyl)amino)propanoicacid
3(22dimethyltetrahydro2Hpyran4yl)3((4(((8xi9xi14xi)17hydroxy31120trioxopregn4en21yl)oxy)4oxobutanoyl)amino)propanoicacid
3(22dimethyltetrahydro2Hpyran4yl)3(4(2((10R13S17R)17hydroxy1013dimethyl311dioxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanamido)propanoicacid
InChI=1SC35H49NO10c132(2)1720(11144632)25(1629(41)42)3628(40)7830(43)451927(39)35(44)1310242365211522(37)91233(213)31(23)26(38)1834(2435)4h152023253144H5141619H214H3(H3640)(H4142)t20?23?24?25?31?333435m0s1
MFCD05725042
O=C(NC(C1CCOC(C1)(C)C)CC(=O)O)CCC(=O)OCC(=O)(C@@)1(O)CCC2(C@)1(C)CC(=O)C1C2CCC2=CC(=O)CC(C@)12C
ZINC000070700285
ZINC000070700299

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Available files

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