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(8xi,9xi,14xi)-11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl 4-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-oxobutanoate

Catalog ID
STL005038
SMILES OCC(NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=CC(=O)CC[C@]12C)(C)C

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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/c1-26(2,16-31)30-23(35)7-8-24(36)38-15-22(34)29(37)12-10-20-19-6-5-17-13-18(32)9-11-27(17,3)25(19)21(33)14-28(20,29)4/h13,19-21,25,31,33,37H,5-12,14-16H2,1-4H3,(H,30,35)/t19?,20?,21?,25?,27-,28-,29-/m0/s1
InChIKey
FLRUXAUWDKIEPL-AWFCWSLBSA-N
Synonyms

(2((10R13S17R)1117dihydroxy1013dimethyl3oxo267891112141516decahydro1Hcyclopenta(a)phenanthren17yl)2oxoethyl)4((1hydroxy2methylpropan2yl)amino)4oxobutanoate
(8xi9xi14xi)1117dihydroxy320dioxopregn4en21yl4((1hydroxy2methylpropan2yl)amino)4oxobutanoate
2((10R13S17R)1117dihydroxy1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethyl4((1hydroxy2methylpropan2yl)amino)4oxobutanoate
CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)COC(=O)CCC(=O)NC(C)(C)CO)O)C)O
InChI=1SC29H43NO8c126(21631)3023(35)7824(36)381522(34)29(37)1210201965171318(32)91127(173)25(19)21(33)1428(2029)4h13192125313337H5121416H214H3(H3035)t19?20?21?25?272829m0s1
MFCD07637510
OCC(NC(=O)CCC(=O)OCC(=O)(C@@)1(O)CCC2(C@)1(C)CC(O)C1C2CCC2=CC(=O)CC(C@)12C)(C)C
ZINC000008876369
ZINC000253499002

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Available files

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