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(3beta,8xi,9xi,14xi,16alpha,20Z)-20-[2-(2,4-dinitrophenyl)hydrazinylidene]-16-(nitromethyl)pregn-5-en-3-yl acetate

Catalog ID
STK673700
SMILES [O-][N+](=O)C[C@@H]1CC2[C@]([C@H]1/C(=N\Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])/C)(C)CCC1C2CC=C2[C@]1(C)CC[C@@H](C2)OC(=O)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 C30H39N5O8 MW 597.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H39N5O8/c1-17(31-32-26-8-6-21(34(39)40)15-27(26)35(41)42)28-19(16-33(37)38)13-25-23-7-5-20-14-22(43-18(2)36)9-11-29(20,3)24(23)10-12-30(25,28)4/h5-6,8,15,19,22-25,28,32H,7,9-14,16H2,1-4H3/b31-17-/t19-,22-,23?,24?,25?,28-,29-,30-/m0/s1
InChIKey
UCEHKNHPQSKYBD-OYJRHNMTSA-N
Synonyms

((3S10R13S16R17S)17((Z)N(24dinitroanilino)Cmethylcarbonimidoyl)1013dimethyl16(nitromethyl)234789111214151617dodecahydro1Hcyclopenta(a)phenanthren3yl)acetate
(3beta8xi9xi14xi16alpha20Z)20(2(24dinitrophenyl)hydrazinylidene)16(nitromethyl)pregn5en3ylacetate
(O)(N+)(=O)C(C@@H)1CC2(C@)((C@H)1C(=NNc1ccc(cc1(N+)(=O)(O))(N+)(=O)(O))C)(C)CCC1C2CC=C2(C@)1(C)CC(C@@H)(C2)OC(=O)C
20((24BISNITROPHENYL)HYDRAZONO)16(NITROMETHYL)PREGN5EN3YLACETATE
CC(=NNC1=C(C=C(C=C1)(N+)(=O)(O))(N+)(=O)(O))C2C(CC3C2(CCC4C3CC=C5C4(CCC(C5)OC(=O)C)C)C)C(N+)(=O)(O)
InChI=1SC30H39N5O8c117(3132268621(34(39)40)1527(26)35(41)42)2819(1633(37)38)13252375201422(4318(2)36)91129(203)24(23)101230(2528)4h568151922252832H791416H214H3b3117t192223?24?25?282930m0s1
MFCD01239642
ZINC000008406362
ZINC000008406373

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Available files

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