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(8xi,9xi,14xi)-17-hydroxy-3,20-dioxopregn-4-en-21-yl 4-[(1,3-benzodioxol-5-ylmethyl)amino]-4-oxobutanoate

Catalog ID
STL004100
SMILES O=C(OCC(=O)[C@@]1(O)CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C)CCC(=O)NCc1ccc2c(c1)OCO2

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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 C33H41NO8 MW 579.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H41NO8/c1-31-12-9-22(35)16-21(31)4-5-23-24(31)10-13-32(2)25(23)11-14-33(32,39)28(36)18-40-30(38)8-7-29(37)34-17-20-3-6-26-27(15-20)42-19-41-26/h3,6,15-16,23-25,39H,4-5,7-14,17-19H2,1-2H3,(H,34,37)/t23?,24?,25?,31-,32-,33-/m0/s1
InChIKey
YMTWRIKLOREEMP-DQWZJFMRSA-N
Synonyms

(2((10R13S17R)17hydroxy1013dimethyl3oxo267891112141516decahydro1Hcyclopenta(a)phenanthren17yl)2oxoethyl)4(13benzodioxol5ylmethylamino)4oxobutanoate
(8XI9XI14XI)17HYDROXY320DIOXOPREGN4EN21YL4((13BENZODIOXOL5YLMETHYL)AMINO)4OXOBUTANOATE
2((8R9S10R13S14S17R)17hydroxy1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethyl4((benzo(d)(13)dioxol5ylmethyl)amino)4oxobutanoate
CC12CCC(=O)C=C1CCC3C2CCC4(C3CCC4(C(=O)COC(=O)CCC(=O)NCC5=CC6=C(C=C5)OCO6)O)C
InChI=1SC33H41NO8c13112922(35)1621(31)452324(31)101332(2)25(23)111433(3239)28(36)184030(38)8729(37)341720362627(1520)42194126h361516232539H457141719H212H3(H3437)t23?24?25?313233m0s1
MFCD07209798
O=C(OCC(=O)(C@@)1(O)CC(C@@H)2(C@)1(C)CC(C@H)1(C@H)2CCC2=CC(=O)CC(C@)12C)CCC(=O)NCc1ccc2c(c1)OCO2
O=C(OCC(=O)(C@@)1(O)CCC2(C@)1(C)CCC1C2CCC2=CC(=O)CC(C@)12C)CCC(=O)NCc1ccc2c(c1)OCO2
ZINC000253502041
ZINC000253502051

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Available files

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