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(8xi,9xi,14xi)-17-hydroxy-3,20-dioxopregn-4-en-21-yl 4-[(6-{[2-(3,4-dihydroxyphenyl)ethyl]amino}-6-oxohexyl)amino]-4-oxobutanoate

Catalog ID
STL528666
SMILES O=C(CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C)NCCCCCC(=O)NCCc1ccc(c(c1)O)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 C39H54N2O9 MW 694.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H54N2O9/c1-37-17-13-27(42)23-26(37)8-9-28-29(37)14-18-38(2)30(28)15-19-39(38,49)33(45)24-50-36(48)12-11-35(47)40-20-5-3-4-6-34(46)41-21-16-25-7-10-31(43)32(44)22-25/h7,10,22-23,28-30,43-44,49H,3-6,8-9,11-21,24H2,1-2H3,(H,40,47)(H,41,46)/t28?,2
InChIKey
WGHFGHYPJUVVDL-PSZQEKQVSA-N
Synonyms

(2((10~(R)13~(S)17~(R))17hydroxy1013dimethyl3oxo267891112141516decahydro1~(H)cyclopenta(a)phenanthren17yl)2oxoethyl)4((6(2(34dihydroxyphenyl)ethylamino)6oxohexyl)amino)4oxobutanoate
(8xi9xi14xi)17hydroxy320dioxopregn4en21yl4((6((2(34dihydroxyphenyl)ethyl)amino)6oxohexyl)amino)4oxobutanoate
135639378
2((8R10R13S17R)17hydroxy1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethyl4((6((34dihydroxyphenethyl)amino)6oxohexyl)amino)4oxobutanoate
InChI=1SC39H54N2O9c137171327(42)2326(37)892829(37)141838(2)30(28)151939(3849)33(45)245036(48)121135(47)4020534634(46)4121162571031(43)32(44)2225h71022232830434449H3689112124H212H3(H4047)(H4146)t28?29?30?373839m0s1
O=C(CCC(=O)OCC(=O)(C@@)1(O)CCC2(C@)1(C)CCC1(C@H)2CCC2=CC(=O)CC(C@)12C)NCCCCCC(=O)NCCc1ccc(c(c1)O)O
ZINC000079221560
ZINC001772492517

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Available files

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