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(8xi,9xi,14xi)-17-hydroxy-3,20-dioxopregn-4-en-21-yl 4-[(2,2-dimethoxyethyl)amino]-4-oxobutanoate

Catalog ID
STL004124
SMILES COC(CNC(=O)CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C)OC

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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 C29H43NO8 MW 533.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H43NO8/c1-27-12-9-19(31)15-18(27)5-6-20-21(27)10-13-28(2)22(20)11-14-29(28,35)23(32)17-38-25(34)8-7-24(33)30-16-26(36-3)37-4/h15,20-22,26,35H,5-14,16-17H2,1-4H3,(H,30,33)/t20?,21?,22?,27-,28-,29-/m0/s1
InChIKey
HILGGRLSUGSIMC-HJROXUHBSA-N
Synonyms

(2((10R13S17R)17hydroxy1013dimethyl3oxo267891112141516decahydro1Hcyclopenta(a)phenanthren17yl)2oxoethyl)4(22dimethoxyethylamino)4oxobutanoate
(8XI9XI14XI)17HYDROXY320DIOXOPREGN4EN21YL4((22DIMETHOXYETHYL)AMINO)4OXOBUTANOATE
2((8R9S10R13S14S17R)17hydroxy1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethyl4((22dimethoxyethyl)amino)4oxobutanoate
CC12CCC(=O)C=C1CCC3C2CCC4(C3CCC4(C(=O)COC(=O)CCC(=O)NCC(OC)OC)O)C
COC(CNC(=O)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)OC
COC(CNC(=O)CCC(=O)OCC(=O)(C@@)1(O)CCC2(C@)1(C)CCC1C2CCC2=CC(=O)CC(C@)12C)OC
InChI=1SC29H43NO8c12712919(31)1518(27)562021(27)101328(2)22(20)111429(2835)23(32)173825(34)8724(33)301626(363)374h1520222635H5141617H214H3(H3033)t20?21?22?272829m0s1
ZINC000049942359
ZINC000049942362

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Available files

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