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2-({[(3Z,8xi,9xi,14xi)-17-hydroxy-20-oxopregn-4-en-3-ylidene]amino}oxy)-N-[2-(4-hydroxyphenyl)ethyl]acetamide

Catalog ID
STL525926
SMILES O=C(CO/N=C\1/CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC[C@]2(O)C(=O)C)C)C)NCCc1ccc(cc1)O

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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 C31H42N2O5 MW 522.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H42N2O5/c1-20(34)31(37)16-12-27-25-9-6-22-18-23(10-14-29(22,2)26(25)11-15-30(27,31)3)33-38-19-28(36)32-17-13-21-4-7-24(35)8-5-21/h4-5,7-8,18,25-27,35,37H,6,9-17,19H2,1-3H3,(H,32,36)/b33-23-/t25?,26?,27?,29-,30-,31-/m0/s1
InChIKey
MXTMUXIRRMPEBU-XATCSJEESA-N
Synonyms

135639105
2((((3Z8xi9xi14xi)17hydroxy20oxopregn4en3ylidene)amino)oxy)N(2(4hydroxyphenyl)ethyl)acetamide
2((((8R9S10R13S14S17R)17acetyl17hydroxy1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)N(4hydroxyphenethyl)acetamide
2((~(Z))((10~(R)13~(S)17~(R))17acetyl17hydroxy1013dimethyl267891112141516decahydro1~(H)cyclopenta(a)phenanthren3ylidene)amino)oxy~(N)(2(4hydroxyphenyl)ethyl)acetamide
InChI=1SC31H42N2O5c120(34)31(37)1612272596221823(101429(222)26(25)111530(2731)3)33381928(36)321713214724(35)8521h45781825273537H691719H213H3(H3236)b3323t25?26?27?293031m0s1
MFCD02115170
O=C(CON=C1CC(C@)2(C(=C1)CC(C@@H)1(C@@H)2CC(C@)2((C@H)1CC(C@)2(O)C(=O)C)C)C)NCCc1ccc(cc1)O
ZINC000252679473
ZINC001772492068

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Available files

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