SpectraBase Compound ID | IALfT0ZWB8R |
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InChI | InChI=1S/C16H27NO4/c18-14-10-11-15(17(20)21)16(19)12-8-6-4-2-1-3-5-7-9-13(14)16/h13,15,19H,1-12H2 |
InChIKey | XXJQRTXAOCTZMY-UHFFFAOYSA-N |
Mol Weight | 297.39 g/mol |
Molecular Formula | C16H27NO4 |
Exact Mass | 297.194008 g/mol |
SpectraBase Spectrum ID | F2caWcpXLqh |
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Name | 4a-Hydroxy-4-nitrotetradecahydrobenzo[a]cyclododecen-1(2H)-one |
CAS Registry Number | 79880-69-6 |
Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C16H27NO4 |
InChI | InChI=1S/C16H27NO4/c18-14-10-11-15(17(20)21)16(19)12-8-6-4-2-1-3-5-7-9-13(14)16/h13,15,19H,1-12H2 |
InChIKey | XXJQRTXAOCTZMY-UHFFFAOYSA-N |
Molecular Weight | 297.395 g/mol |
SMILES | OC12CCCCCCCCCCC2C(CCC1N(=O)=O)=O |
SPLASH | splash10-052b-9410000000-1556ca068fbd876cd8ee |
Synonyms | 16-Nitrobicyclo[10.4.0]hexadecan-1-ol-13-one 4-Nitro-4a-oxidanyl-2,3,4,5,6,7,8,9,10,11,12,13,14,14a-tetradecahydrobenzo[12]annulen-1-one 4a-hydroxy-4-nitro-2,3,4,5,6,7,8,9,10,11,12,13,14,14a-tetradecahydrobenzocyclododecen-1-one 4a-hydroxy-4-nitro-2,3,4,5,6,7,8,9,10,11,12,13,14,14a-tetradecahydrobenzo[12]annulen-1-one |
Wiley ID | 1477986 |