CAS |
552-02-3 |
Structure | |
Synonyms |
Himbaccol |
IUPAC Name |
(1aR,4S,4aS,7R,7aS,7bS)-1,1,4,7-Tetramethyl-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-4-ol |
Molecular Weight |
222.37 |
Canonical SMILES |
CC1CCC2C1C3C(C3(C)C)CCC2(C)O |
InChI |
InChI=1S/C15H26O/c1-9-5-6-10-12(9)13-11(14(13,2)3)7-8-15(10,4)16/h9-13,16H,5-8H2,1-4H3/t9-,10+,11-,12-,13-,15+/m1/s1 |
InChI Key |
AYXPYQRXGNDJFU-IMNVLQEYSA-N |
Boiling Point |
112-114 °C |
Melting Point |
71 °C |
Purity |
90%+ |
Density |
0.962±0.06 g/cm³ at 25 °C(lit.) |
Exact Mass |
222.198365449 |
Isomeric SMILES |
C[C@@H]1CC[C@H]2[C@@H]1[C@H]3[C@H](C3(C)C)CC[C@]2(C)O |
Monoisotopic Mass |
222.198365449 |
Physical State |
Solid |
Topological Polar Surface Area |
20.2 Ų |
For Research Use Only. Not for use in diagnostic or therapeutic procedures.