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(9xi,14xi)-17-hydroxy-3,20-dioxopregn-4-en-21-yl 4-({6-[(2,5-dioxopyrrolidin-1-yl)oxy]-6-oxohexyl}amino)-4-oxobutanoate

Catalog ID
STL007197
SMILES O=C(OCC(=O)[C@@]1(O)CCC2[C@]1(C)CCC1[C@H]2CCC2=CC(=O)CC[C@]12C)CCC(=O)NCCCCCC(=O)ON1C(=O)CCC1=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 C35H48N2O10 MW 656.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H48N2O10/c1-33-16-13-23(38)20-22(33)7-8-24-25(33)14-17-34(2)26(24)15-18-35(34,45)27(39)21-46-31(43)12-9-28(40)36-19-5-3-4-6-32(44)47-37-29(41)10-11-30(37)42/h20,24-26,45H,3-19,21H2,1-2H3,(H,36,40)/t24-,25?,26?,33+,34+,35+/m1/s1
InChIKey
LDRRYZVTAASSIG-MGOHGUPJSA-N
Synonyms

(25dioxopyrrolidin1yl)6((4(2((8R10R13S17R)17hydroxy1013dimethyl3oxo267891112141516decahydro1Hcyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanoyl)amino)hexanoate
(9XI14XI)17HYDROXY320DIOXOPREGN4EN21YL4((6((25DIOXOPYRROLIDIN1YL)OXY)6OXOHEXYL)AMINO)4OXOBUTANOATE
25dioxopyrrolidin1yl6(4(2((8R10R13S17R)17hydroxy1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanamido)hexanoate
CC12CCC(=O)C=C1CCC3C2CCC4(C3CCC4(C(=O)COC(=O)CCC(=O)NCCCCCC(=O)ON5C(=O)CCC5=O)O)C
InChI=1SC35H48N2O10c133161323(38)2022(33)782425(33)141734(2)26(24)151835(3445)27(39)214631(43)12928(40)3619534632(44)473729(41)101130(37)42h20242645H31921H212H3(H3640)t2425?26?33+34+35+m1s1
MFCD06767775
O=C(OCC(=O)(C@@)1(O)CCC2(C@)1(C)CCC1(C@H)2CCC2=CC(=O)CC(C@)12C)CCC(=O)NCCCCCC(=O)ON1C(=O)CCC1=O
ZINC000079221658
ZINC000079221671

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Available files

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