Norambreinolide

CAS	564-20-5
Structure
Synonyms	Sclareolide
IUPAC Name	(3aR,5aS,9aS,9bR)-3a,6,6,9a-Tetramethyl-1,4,5,5a,7,8,9,9b-octahydrobenzo[e][1]benzofuran-2-one
Molecular Weight	250.38
Canonical SMILES	CC1(CCCC2(C1CCC3(C2CC(=O)O3)C)C)C
InChI	InChI=1S/C16H26O2/c1-14(2)7-5-8-15(3)11(14)6-9-16(4)12(15)10-13(17)18-16/h11-12H,5-10H2,1-4H3/t11-,12+,15-,16+/m0/s1
InChI Key	IMKJGXCIJJXALX-SHUKQUCYSA-N
Boiling Point	321.4±10.0 °C
Melting Point	124-126 °C
Purity	95%+
Density	1.009±0.06 g/cm³
Solubility	Insoluble in water and oils; soluble in acetone and toluene
Exact Mass	250.193280068
Isomeric SMILES	C[C@]12CCCC([C@@H]1CC[C@@]3([C@@H]2CC(=O)O3)C)(C)C
Monoisotopic Mass	250.193280068
Odor	Warm musky or woody aroma
Physical State	Powder
Storage Conditions	Dry place,Room Temperature
Topological Polar Surface Area	26.3 Ų