Basic information
- CAS
57684-14-7- Standard SMILES
CC1(C)CCC[C@]2(C)[C@H]3CC=C[C@@H](O)[C@@H]3CC[C@@H]12- InChIKey
BOBPGJBGJTWQJC-LBKYZSNHSA-N- Molecular formula
- C17H28O
- Average molar mass
- 248.4 g/mol
Names & identifiers
- Preferred name
- (1R,4aS,4bR,8aS,10aR)-4b,8,8-trimethyl-1,4,4a,5,6,7,8a,9,10,10a-decahydrophenanthren-1-ol
- IUPAC
- (1R,4aS,4bR,8aS,10aR)-4b,8,8-trimethyl-1,4,4a,5,6,7,8a,9,10,10a-decahydrophenanthren-1-ol
- English name
- (1R)-1,4,4aβ,4b,5,6,7,8,8aβ,9,10,10aα-Dodecahydro-4bα,8,8-trimethylphenanthren-1α-ol
- Molecular formula
- C17H28O
- Molecular weight
- 248.4
Names & synonyms
(1R)-1,4,4aβ,4b,5,6,7,8,8aβ,9,10,10aα-Dodecahydro-4bα,8,8-trimethylphenanthren-1α-ol1-Phenanthrenol, 1,4,4a,4b,5,6,7,8,8a,9,10,10a-dodecahydro-4b,8,8-trimethyl-, [1R-(1α,4aβ,4bα,8aβ,10aα)]- (9CI)
Database identifiers
- CAS
57684-14-7- Nikkaji
- J130.496H
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 357
Physicochemical properties
- Boiling point
- 339.258 · 339.258±11.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 0.979 · 0.979±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 14.546 · 14.546±0.60(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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