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(5Z,7Z)-16-[(3E)-5,6-dimethylhept-3-en-2-yl]-9,10-secoandrosta-5,7,10-trien-3-yl 3,5-dinitrobenzoate

Catalog ID
STL524593
SMILES CC(C1CC2C(C1)(C)CCC/C/2=C/C=C\1/CC(CCC1=C)OC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])/C=C/C(C(C)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 C35H46N2O6 MW 590.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H46N2O6/c1-22(2)23(3)9-10-25(5)29-19-33-26(8-7-15-35(33,6)21-29)12-13-27-18-32(14-11-24(27)4)43-34(38)28-16-30(36(39)40)20-31(17-28)37(41)42/h9-10,12-13,16-17,20,22-23,25,29,32-33H,4,7-8,11,14-15,18-19,21H2,1-3,5-6H3/b10-9+,26-12-,27-13-
InChIKey
RNSFJPLUMBHVCW-HGFMNPHISA-N
Synonyms
374701-11-8
((3~(Z))3((2~(Z))2(2((~(E))56dimethylhept3en2yl)7~(a)methyl233~(a)567hexahydro1~(H)inden4ylidene)ethylidene)4methylidenecyclohexyl)35dinitrobenzoate
(5Z7Z)16((3E)56dimethylhept3en2yl)910secoandrosta5710trien3yl35dinitrobenzoate
(Z)3((Z)2(2((E)56DIMETHYLHEPT3EN2YL)7AMETHYLHEXAHYDRO1HINDEN4(2H)YLIDENE)ETHYLIDENE)4METHYLENECYCLOHEXYL35DINITROBENZOATE
16395362
374701118
CC(C1CC2C(C1)(C)CCCC2=CC=C1CC(CCC1=C)OC(=O)c1cc(cc(c1)(N+)(=O)(O))(N+)(=O)(O))C=CC(C(C)C)C
InChI=1SC35H46N2O6c122(2)23(3)91025(5)29193326(871535(336)2129)1213271832(141124(27)4)4334(38)281630(36(39)40)2031(1728)37(41)42h9101213161720222325293233H478111415181921H21356H3b109+26122713
MFCD01544711
ZINC000248274634
ZINC000248274640

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Available files

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