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3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-3-{[({[(3E,8xi,9xi,14xi)-17-hydroxy-20-oxopregn-4-en-3-ylidene]amino}oxy)acetyl]amino}propanoic acid

Catalog ID
STL553028
SMILES O=C(NC(C1CCOC(C1)(C)C)CC(=O)O)CO/N=C/1\CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CCC2(O)C(=O)C)C)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 C33H50N2O7 MW 586.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H50N2O7/c1-20(36)33(40)14-10-26-24-7-6-22-16-23(8-12-31(22,4)25(24)9-13-32(26,33)5)35-42-19-28(37)34-27(17-29(38)39)21-11-15-41-30(2,3)18-21/h16,21,24-27,40H,6-15,17-19H2,1-5H3,(H,34,37)(H,38,39)/b35-23+/t21?,24?,25?,26?,27?,31-,32-,33?/m0/s1
InChIKey
VWSZLHHWCXFMLO-YSYHDMRWSA-N
Synonyms

3((2((~(E))((10~(R)13~(S))17acetyl17hydroxy1013dimethyl267891112141516decahydro1~(H)cyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)amino)3(22dimethyloxan4yl)propanoicacid
3(2((((8R9S10R13S14S17R)17acetyl17hydroxy1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)acetamido)3(22dimethyltetrahydro2Hpyran4yl)propanoicacid
3(22dimethyltetrahydro2Hpyran4yl)3((((((3E8xi9xi14xi)17hydroxy20oxopregn4en3ylidene)amino)oxy)acetyl)amino)propanoicacid
44661576
InChI=1SC33H50N2O7c120(36)33(40)1410262476221623(81231(224)25(24)91332(2633)5)35421928(37)3427(1729(38)39)2111154130(23)1821h1621242740H6151719H215H3(H3437)(H3839)b3523+t21?24?25?26?27?313233?m0s1
O=C(NC(C1CCOC(C1)(C)C)CC(=O)O)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
ZINC000257361277
ZINC000257361280

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Available files

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