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N-(4-{[(8xi,9xi,14xi)-11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)serine

Catalog ID
STL528102
SMILES OCC(C(=O)O)NC(=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 C28H39NO10 MW 549.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H39NO10/c1-26-9-7-16(31)11-15(26)3-4-17-18-8-10-28(38,27(18,2)12-20(32)24(17)26)21(33)14-39-23(35)6-5-22(34)29-19(13-30)25(36)37/h11,17-20,24,30,32,38H,3-10,12-14H2,1-2H3,(H,29,34)(H,36,37)/t17?,18?,19?,20?,24?,26-,27-,28-/m0/s1
InChIKey
SMFPKGNQNAOAMA-YIUJZOQBSA-N
Synonyms

135639362
2((4(2((10~(R)13~(S)17~(R))1117dihydroxy1013dimethyl3oxo267891112141516decahydro1~(H)cyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanoyl)amino)3hydroxypropanoicacid
2(4(2((8S9S10R11S13S14S17R)1117dihydroxy1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanamido)3hydroxypropanoicacid
InChI=1SC28H39NO10c1269716(31)1115(26)34171881028(3827(182)1220(32)24(17)26)21(33)143923(35)6522(34)2919(1330)25(36)37h11172024303238H3101214H212H3(H2934)(H3637)t17?18?19?20?24?262728m0s1
MFCD03850087
N(4(((8xi9xi14xi)1117dihydroxy320dioxopregn4en21yl)oxy)4oxobutanoyl)serine
OCC(C(=O)O)NC(=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
ZINC001772492355
ZINC001772492358

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Available files

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