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(8xi,9xi,14xi)-17-hydroxy-3,20-dioxopregn-4-en-21-yl 4-{[2-(1H-indol-3-yl)ethyl]amino}-4-oxobutanoate

Catalog ID
STL529490
SMILES O=C(CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C)NCCc1c[nH]c2c1cccc2

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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 C35H44N2O6 MW 588.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H44N2O6/c1-33-15-11-24(38)19-23(33)7-8-26-27(33)12-16-34(2)28(26)13-17-35(34,42)30(39)21-43-32(41)10-9-31(40)36-18-14-22-20-37-29-6-4-3-5-25(22)29/h3-6,19-20,26-28,37,42H,7-18,21H2,1-2H3,(H,36,40)/t26?,27?,28?,33-,34-,35-/m0/s1
InChIKey
LHZFPJRWVSARAO-IFUHDDJQSA-N
Synonyms

(2((10~(R)13~(S)17~(R))17hydroxy1013dimethyl3oxo267891112141516decahydro1~(H)cyclopenta(a)phenanthren17yl)2oxoethyl)4(2(1~(H)indol3yl)ethylamino)4oxobutanoate
(8xi9xi14xi)17hydroxy320dioxopregn4en21yl4((2(1Hindol3yl)ethyl)amino)4oxobutanoate
2((8R9S10R13S14S17R)17hydroxy1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethyl4((2(1Hindol3yl)ethyl)amino)4oxobutanoate
44662365
InChI=1SC35H44N2O6c133151124(38)1923(33)782627(33)121634(2)28(26)131735(3442)30(39)214332(41)10931(40)36181422203729643525(22)29h36192026283742H71821H212H3(H3640)t26?27?28?333435m0s1
MFCD04146336
O=C(CCC(=O)OCC(=O)(C@@)1(O)CC(C@@H)2(C@)1(C)CC(C@H)1(C@H)2CCC2=CC(=O)CC(C@)12C)NCCc1c(nH)c2c1cccc2
ZINC000253505620
ZINC000253505636

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Available files

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