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Cholest-5-en-3-yl 2-nitrobenzoate

ChemSpider ID: 23596226
Molecular Formula: C₃₄H₄₉NO₄
Average mass: 535.757202 Da
Monoisotopic mass: 535.36615 Da
Systematic name

Cholest-5-en-3-yl 2-nitrobenzoate
SMILES and InChIs

SMILES:

CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)c5ccccc5[N+](=O)[O-])C)C Copied

Std. InChI:

InChI=1S/C34H49NO4/c1-22(2)9-8-10-23(3)28-15-16-29-26-14-13-24-21-25(17-19-33(24,4)30(26)18-20-34(28,29)5)39-32(36)27-11-6-7-12-31(27)35(37)38/h6-7,11-13,22-23,25-26,28-30H,8-10,14-21H2,1-5H3 Copied

Std. InChIKey:

BFGLROMYSSJNRI-UHFFFAOYSA-N Copied
Cite this record
CSID:23596226, http://www.chemspider.com/Chemical-Structure.23596226.html (accessed 08:47, May 25, 2012) Copied

Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.

Click to predict properties on the Chemicalize site

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