Totarol deriv
(4bS,8aS)-4b,8,8-trimethyl-3-nitro-1-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-2-ol
Also Known As: Totarol deriv|12-Nitrototara-8,11,13-trien-13-ol|J1.357.352B|2-Phenanthrenol, 4b,5,6,7,8,8a,9,10-octahydro-4b,8,8-trimethyl-1-(1-methylethyl)-3-nitro-, (4bS,8aS)-|(4bS,8aS)-1-isopropyl-4b,8,8-trimethyl-3-nitro-5,6,7,8a,9,10-hexahydrophenanthren-2-ol|2-Phenanthrenol,4b,5,6,7,8,8a,9,10-octahydro-4b,8,8-trimethyl-1- -3-nitro-, -|(4bS,8aS)-3-Nitro-4b,5,6,7,8,8a,9,10-octahydro-4b,8,8-trimethyl-1-isopropylphenanthrene-2-ol|(4bS,8aS)-4b,8,8-trimethyl-3-nitro-1-(propan-2-yl)-4b,5,6,7,8,8a,9,10-octahydrophenanthren-2-ol|(4bS,8aS)-4b,8,8-trimethyl-3-nitro-1-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-2-ol
| Molecular Formula | C20H29NO3 |
|---|---|
| Molecular Weight | 331.21475 g/mol |
| LogP | 7.1 |
| Topological Polar Surface Area | 66.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 331.21475 |
| Monoisotopic Mass | 331.21475 |
| Heavy Atoms | 24 |
| Complexity | 498.0 |
Chemical Identifiers
| CAS Number | 84104-89-2 |
|---|---|
| SMILES | CC(C)C1=C2CC[C@@H]3[C@@](C2=CC(=C1O)[N+](=O)[O-])(CCCC3(C)C)C |
| InChIKey | ZVJWPUYUNZNFGL-OXJNMPFZSA-N |
Product Overview
Totarol deriv (CAS 84104-89-2), with molecular formula C20H29NO3 and molecular weight 331.21475 g/mol. IUPAC: (4bS,8aS)-4b,8,8-trimethyl-3-nitro-1-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-2-ol.