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methyl 4-hydroxy-1-[({[(3E,8xi,9xi,14xi,17beta)-17-hydroxy-17-methylandrosta-1,4-dien-3-ylidene]amino}oxy)acetyl]prolinate

Catalog ID
STL566205
SMILES COC(=O)C1CC(CN1C(=O)CO/N=C/1\C=C[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC[C@]2(C)O)C)C)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 C28H40N2O6 MW 500.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H40N2O6/c1-26-10-7-18(29-36-16-24(32)30-15-19(31)14-23(30)25(33)35-4)13-17(26)5-6-20-21(26)8-11-27(2)22(20)9-12-28(27,3)34/h7,10,13,19-23,31,34H,5-6,8-9,11-12,14-16H2,1-4H3/b29-18+/t19?,20?,21?,22?,23?,26-,27-,28-/m0/s1
InChIKey
RSSJAWQURRUEQB-JOPHBVSSSA-N
Synonyms

145705591
COC(=O)C1CC(CN1C(=O)CON=C1C=C(C@)2(C(=C1)CC(C@@H)1(C@@H)2CC(C@)2((C@H)1CC(C@)2(C)O)C)C)O
InChI=1SC28H40N2O6c12610718(29361624(32)301519(31)1423(30)25(33)354)1317(26)562021(26)81127(2)22(20)91228(273)34h7101319233134H568911121416H214H3b2918+t19?20?21?22?23?262728m0s1
methyl4hydroxy1(((((3E8xi9xi14xi17beta)17hydroxy17methylandrosta14dien3ylidene)amino)oxy)acetyl)prolinate
methyl4hydroxy1(2((((8R9S10R13S14S17S)17hydroxy101317trimethyl67891011121314151617dodecahydro3Hcyclopenta(a)phenanthren3ylidene)amino)oxy)acetyl)pyrrolidine2carboxylate
methyl4hydroxy1(2((E)((10R13S17S)17hydroxy101317trimethyl7891112141516octahydro6Hcyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)pyrrolidine2carboxylate
ZINC000012296270
ZINC001848443860

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Available files

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

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