Compound: Sclareolide
SMILES: O=C1O[C@@]2(CC[C@@H]3[C@@]([C@H]2C1)(CCCC3(C)C)C)C
InChIKey: IMKJGXCIJJXALX-SHUKQUCYSA-N
Synonyms: Sclareolide, 564-20-5, (+)-sclareolide, 12-Norambreinolide, 37W4O0O6E6, FEMA NO. 3794, RefChem:884697, 209-269-0, (3aR)-(+)-Sclareolide, Norambreinolide, CLAREOLIDE, MFCD00134168, (3aR,5aS,9aS,9bR)-3a,6,6,9a-tetramethyldecahydronaphtho[2,1-b]furan-2(1H)-one, (3aR,5aS,9aS,9bR)-Decahydro-3a,6,6,9a-tetramethylnaphtho[2,1-b]furan-2(1H)-one, (3aR,5aS,9aS,9bR)-3a,6,6,9a-Tetramethyldecahydronaphtho[2,1-b]furan-2(3aH)-one, MLS001173371, (3aR,5aS,9aS,9bR)-3a,6,6,9a-tetramethyl-1,4,5,5a,7,8,9,9b-octahydrobenzo[e][1]benzofuran-2-one, DTXSID8047686, SMR000538921, Decahydrotetramethylnaphthofuranone, (3aR,5aS,9aS,9bR)-3a,6,6,9a-tetramethyl-1,4,5,5a,7,8,9,9b-octahydrobenzo[e]benzofuran-2-one, Norambreinolide, (+)-, UNII-37W4O0O6E6, (3aR)-(+)-Sclareolide; (+)-12-Norambreinolide; Decahydrotetramethylnaphthofuranone, Naphtho(2,1-b)furan-2(1H)-one, decahydro-3a,6,6,9a-tetramethyl-, (3aR,5aS,9aS,9bR)-, EINECS 209-269-0, CLARY SAGE LACTONE, SCLAREOLIDE [FHFI], (3a,R)-(+)-Sclareolide, SCHEMBL83395, Sclareolide (Norambreinolide), CHEMBL304461, cid_929262, orb1304866, DTXCID6027686, BDBM75178, CHEBI:156168, HMS2860M07, (3aR)-(+)-Sclareolide, 97%, HY-N0129, Tox21_302544, s2355, AKOS015901397, CCG-208493, DS-7369, EBC-616383, FS34059, (3aR,5aS,9aS,9bR)-3a,6,6,9a-tetramethyl-dodecahydronaphtho[2,1-b]furan-2-one, NCGC00163620-01, NCGC00163620-03, NCGC00256856-01, 3a,4,5,5aalpha,6,7,8,9,9a,9balpha-decahydro-3abeta,6,6,9abeta-tetramethylnaphtho(2,1-b)furan-2(1H)-one, CAS-564-20-5, Naphtho(2,1-b)furan-2(1H)-one, 3a,4,5,5aalpha,6,7,8,9,9a,9balpha-decahydro-3abeta,6,6,9abeta-tetramethyl-, Naphtho(2,1-b)furan-2(1H)-one, decahydro-3a,6,6,9a-tetramethyl-, (3aR-(3aalpha,5abeta,9aalpha,9bbeta))-, SY026596, (3aR)-(+)-Sclareolide, analytical standard, CS-0007855, S0847, (3aR)-(+)-Sclareolide, natural, 97%, FG, H10516, F462721, SR-01000812893, SR-01000812893-3, BRD-K72925150-001-10-3, BRD-K72925150-001-11-1, (3aR,5aS,9aS,9bR)-3a,6,6,9a-tetramethyl-1,4,5,5a,7,8,9,9b-octahydrobenzo[e][1]benzouran-2-one, (3AR-(3aalpha,5abeta,9aalpha,9bbeta))decahydro-3a,6,6,9a-tetramethylnaphth(2,1-b)furan-2(1H)-one
Theoretical properties:
molecular_formula: C16H26O2
molecular_weight: 250.38 g/mol
exact_mass: 250.193280068 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 0
heavy_atom_count: 18
topological_polar_surface_area: 26.3 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
solubility: Insoluble in water and oils; soluble in acetone and toluene
Descriptions:
pubchem: Norambreinolide is a naphthofuran.
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Sclareolide is a sesquiterpene lactone natural product derived from various plant sources including Salvia sclarea, Salvia yosgadensis, and cigar tobacco.  It is a close analog of sclareol, a plant antifungal compound.
It is used as a fragrance in cosmetics and has been more recently marketed as a weight loss supplement, though there is no clinical evidence to support this effect.