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2-({[(3E,9xi,14xi,17beta)-17-hydroxy-17-methylandrost-4-en-3-ylidene]amino}oxy)-N-[2-(4-hydroxyphenyl)ethyl]acetamide

Catalog ID
STL531734
SMILES O=C(CO/N=C/1\CC[C@]2(C(=C1)CC[C@@H]1C2CC[C@]2(C1CC[C@]2(C)O)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 C30H42N2O4 MW 494.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H42N2O4/c1-28-14-10-22(32-36-19-27(34)31-17-13-20-4-7-23(33)8-5-20)18-21(28)6-9-24-25(28)11-15-29(2)26(24)12-16-30(29,3)35/h4-5,7-8,18,24-26,33,35H,6,9-17,19H2,1-3H3,(H,31,34)/b32-22+/t24-,25?,26?,28+,29+,30+/m1/s1
InChIKey
QABLZIUPUILGKC-FANUOUPISA-N
Synonyms

~(N)(2(4hydroxyphenyl)ethyl)2((~(E))((8~(R)10~(R)13~(S)17~(S))17hydroxy101317trimethyl267891112141516decahydro1~(H)cyclopenta(a)phenanthren3ylidene)amino)oxyacetamide
2((((3E9xi14xi17beta)17hydroxy17methylandrost4en3ylidene)amino)oxy)N(2(4hydroxyphenyl)ethyl)acetamide
2((((8R9S10R13S14S17S)17hydroxy101317trimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)N(4hydroxyphenethyl)acetamide
75537275
InChI=1SC30H42N2O4c128141022(32361927(34)311713204723(33)8520)1821(28)692425(28)111529(2)26(24)121630(293)35h45781824263335H691719H213H3(H3134)b3222+t2425?26?28+29+30+m1s1
O=C(CON=C1CC(C@)2(C(=C1)CC(C@@H)1(C@@H)2CC(C@)2((C@H)1CC(C@)2(C)O)C)C)NCCc1ccc(cc1)O
ZINC000012878176
ZINC000252517733

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Available files

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