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

Catalog ID
STL527073
SMILES O=C(OCC(=O)[C@@]1(O)CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C)CCC(=O)NC(C(=O)O)Cc1ccccc1

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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 C34H43NO8 MW 593.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H43NO8/c1-32-15-12-23(36)19-22(32)8-9-24-25(32)13-16-33(2)26(24)14-17-34(33,42)28(37)20-43-30(39)11-10-29(38)35-27(31(40)41)18-21-6-4-3-5-7-21/h3-7,19,24-27,42H,8-18,20H2,1-2H3,(H,35,38)(H,40,41)/t24?,25?,26?,27?,32-,33-,34-/m0/s1
InChIKey
WRSJEUPOJZKNQH-NCDNVRTCSA-N
Synonyms

2((4(2((10~(R)13~(S)17~(R))17hydroxy1013dimethyl3oxo267891112141516decahydro1~(H)cyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanoyl)amino)3phenylpropanoicacid
2(4(2((8R9S10R13S14S17R)17hydroxy1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanamido)3phenylpropanoicacid
44662152
InChI=1SC34H43NO8c132151223(36)1922(32)892425(32)131633(2)26(24)141734(3342)28(37)204330(39)111029(38)3527(31(40)41)18216435721h3719242742H81820H212H3(H3538)(H4041)t24?25?26?27?323334m0s1
MFCD03266898
N(4(((8xi9xi14xi)17hydroxy320dioxopregn4en21yl)oxy)4oxobutanoyl)phenylalanine
O=C(OCC(=O)(C@@)1(O)CC(C@@H)2(C@)1(C)CC(C@H)1(C@H)2CCC2=CC(=O)CC(C@)12C)CCC(=O)NC(C(=O)O)Cc1ccccc1
ZINC000253506659
ZINC000253506674

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Available files

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

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