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(11beta)-11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl 4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-4-oxobutanoate

Catalog ID
STL538218
SMILES COc1cc(CCNC(=O)CCC(=O)OCC(=O)[C@@]2(O)CC[C@@H]3[C@]2(C)C[C@H](O)[C@H]2[C@H]3CCC3=CC(=O)CC[C@]23C)ccc1OC

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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 C35H47NO9 MW 625.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H47NO9/c1-33-14-11-23(37)18-22(33)6-7-24-25-12-15-35(42,34(25,2)19-26(38)32(24)33)29(39)20-45-31(41)10-9-30(40)36-16-13-21-5-8-27(43-3)28(17-21)44-4/h5,8,17-18,24-26,32,38,42H,6-7,9-16,19-20H2,1-4H3,(H,36,40)/t24-,25-,26-,32+,33-,34-,35-/m0/s1
InChIKey
OZDIMYJARFKRMU-IMMIPHHMSA-N
Synonyms
1029698-08-5
(11beta)1117dihydroxy320dioxopregn4en21yl4((2(34dimethoxyphenyl)ethyl)amino)4oxobutanoate
(2((8~(S)9~(S)10~(R)11~(S)13~(S)14~(S)17~(R))1117dihydroxy1013dimethyl3oxo267891112141516decahydro1~(H)cyclopenta(a)phenanthren17yl)2oxoethyl)4(2(34dimethoxyphenyl)ethylamino)4oxobutanoate
1029698085
16402863
2((8S9S10R11S13S14S17R)1117dihydroxy1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethyl4((34dimethoxyphenethyl)amino)4oxobutanoate
COc1cc(CCNC(=O)CCC(=O)OCC(=O)(C@@)2(O)CC(C@@H)3(C@)2(C)C(C@H)(O)(C@H)2(C@H)3CCC3=CC(=O)CC(C@)23C)ccc1OC
InChI=1SC35H47NO9c133141123(37)1822(33)672425121535(4234(252)1926(38)32(24)33)29(39)204531(41)10930(40)361613215827(433)28(1721)444h5817182426323842H679161920H214H3(H3640)t24252632+333435m0s1
MFCD06494562
ZINC000070697052
ZINC70697052

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Available files

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