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

Catalog ID
STL527024
SMILES O=C(NC(C1CCOC(C1)(C)C)CC(=O)O)CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)C[C@H](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 C35H51NO10 MW 645.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H51NO10/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/h15,20,23-26,31,38,44H,5-14,16-19H2,1-4H3,(H,36,40)(H,41,42)/t20?,23?,24?,25?,26-,31?,33-,
InChIKey
KOTAEFGETFAPEM-SWHPDQETSA-N
Synonyms

3((4(((8xi9xi11beta14xi)1117dihydroxy320dioxopregn4en21yl)oxy)4oxobutanoyl)amino)3(22dimethyltetrahydro2Hpyran4yl)propanoicacid
3((4(2((10~(R)11~(S)13~(S)17~(R))1117dihydroxy1013dimethyl3oxo267891112141516decahydro1~(H)cyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanoyl)amino)3(22dimethyloxan4yl)propanoicacid
3(4(2((8S9S10R11S13S14S17R)1117dihydroxy1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanamido)3(22dimethyltetrahydro2Hpyran4yl)propanoicacid
44663147
InChI=1SC35H51NO10c132(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)4h15202326313844H5141619H214H3(H3640)(H4142)t20?23?24?25?2631?333435m0s1
MFCD03005920
O=C(NC(C1CCOC(C1)(C)C)CC(=O)O)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)CC(C@)12C
ZINC000253503325
ZINC000253503331

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Available files

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