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N-(4-{[(8xi,9xi,14xi)-17-hydroxy-3,11,20-trioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)glutamic acid

Catalog ID
STL565365
SMILES O=C(NC(C(=O)O)CCC(=O)O)CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(=O)C1C2CCC2=CC(=O)CC[C@]12C

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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 C30H39NO11 MW 589.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H39NO11/c1-28-11-9-17(32)13-16(28)3-4-18-19-10-12-30(41,29(19,2)14-21(33)26(18)28)22(34)15-42-25(38)8-6-23(35)31-20(27(39)40)5-7-24(36)37/h13,18-20,26,41H,3-12,14-15H2,1-2H3,(H,31,35)(H,36,37)(H,39,40)/t18?,19?,20?,26?,28-,29-,30-/m0/s1
InChIKey
CYPIXVRTJGKKNM-WCYSLTKASA-N
Synonyms

2((4(2((10R13S17R)17hydroxy1013dimethyl311dioxo12678912141516decahydrocyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanoyl)amino)pentanedioicacid
2(4(2((8S9S10R13S14S17R)17hydroxy1013dimethyl311dioxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanamido)pentanedioicacid
44661445
InChI=1SC30H39NO11c12811917(32)1316(28)341819101230(4129(192)1421(33)26(18)28)22(34)154225(38)8623(35)3120(27(39)40)5724(36)37h1318202641H3121415H212H3(H3135)(H3637)(H3940)t18?19?20?26?282930m0s1
N(4(((8xi9xi14xi)17hydroxy31120trioxopregn4en21yl)oxy)4oxobutanoyl)glutamicacid
O=C(NC(C(=O)O)CCC(=O)O)CCC(=O)OCC(=O)(C@@)1(O)CC(C@@H)2(C@)1(C)CC(=O)(C@H)1(C@H)2CCC2=CC(=O)CC(C@)12C
ZINC000253504485
ZINC000253504499

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Available files

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