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

Catalog ID
STL528148
SMILES CCC(C(C(=O)O)NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C)C

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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 C31H45NO8 MW 559.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H45NO8/c1-5-18(2)27(28(37)38)32-25(35)8-9-26(36)40-17-24(34)31(39)15-12-23-21-7-6-19-16-20(33)10-13-29(19,3)22(21)11-14-30(23,31)4/h16,18,21-23,27,39H,5-15,17H2,1-4H3,(H,32,35)(H,37,38)/t18?,21?,22?,23?,27?,29-,30-,31-/m0/s1
InChIKey
CKUPKSMEYGZKGK-NXTWXPNXSA-N
Synonyms

2((4(2((10~(R)13~(S)17~(R))17hydroxy1013dimethyl3oxo267891112141516decahydro1~(H)cyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanoyl)amino)3methylpentanoicacid
2(4(2((8R9S10R13S14S17R)17hydroxy1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanamido)3methylpentanoicacid
44664805
CCC(C(C(=O)O)NC(=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)C
InChI=1SC31H45NO8c1518(2)27(28(37)38)3225(35)8926(36)401724(34)31(39)1512232176191620(33)101329(193)22(21)111430(2331)4h161821232739H51517H214H3(H3235)(H3738)t18?21?22?23?27?293031m0s1
MFCD03850097
N(4(((8xi9xi14xi)17hydroxy320dioxopregn4en21yl)oxy)4oxobutanoyl)isoleucine
ZINC000253502344
ZINC000253502357

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.

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