Compound: (-)-Ambroxide
SMILES: O1[C@]2([C@@H]([C@@]3([C@H](C(CCC3)(C)C)CC2)C)CC1)C
InChIKey: YPZUZOLGGMJZJO-LQKXBSAESA-N
Synonyms: (-)-Ambroxide, 6790-58-5, Ambroxide, Ambroxan, (-)-ambrox, Ambroxide, (-)-, (3aR,5aS,9aS,9bR)-3a,6,6,9a-tetramethyldodecahydronaphtho[2,1-b]furan, K60YJF1E9A, AMBERMOX, AMBROFIX, ORCANOX, TD34B3O8M9, DTXSID0047113, AMBROXIDE [MI], (3aR,5aS,9aS,9bR)-3a,6,6,9a-tetramethyl-2,4,5,5a,7,8,9,9b-octahydro-1H-benzo[e][1]benzofuran, EINECS 229-861-2, (-)-NORLABDANE OXIDE, DTXCID8027113, CHEBI:78307, EC 229-861-2, Naphtho(2,1-b)furan, dodecahydro-3a,6,6,9a-tetramethyl-, (3aR,5aS,9aS,9bR)-, 100679-85-4, Dodecahydro-3a,6,6,9a-tetramethylnaphtho(2,1-b)furan, (3aR-(3aalpha,5abeta,9aalpha,9bbeta))-, Naphtho(2,1-b)furan, dodecahydro-3a,6,6,9a-tetramethyl-, (3aR,5aS,9aS,9bR)-rel-, A575915, Naphtho(2,1-b)furan, dodecahydro-3a,6,6,9a-tetramethyl-, (3aR-(3aalpha,5abeta,9aalpha,9bbeta))-, A-575915, Naphtho(2,1-b)furan, dodecahydro-3a,6,6,9a-tetramethyl-, (3aalpha,5abeta,9aalpha,9bbeta)-, Naphtho[2,1-b]furan, dodecahydro-3a,6,6,9a-tetramethyl-, (3aR,5aS,9aS,9bR)-, NAPHTHO(2,1-B)FURAN, DODECAHYDRO-3A,6,6,9A-TETRAMETHYL-, (3A.ALPHA.,5A.BETA.,9A.ALPHA.,9B.BETA.)-, NAPHTHO(2,1-B)FURAN, DODECAHYDRO-3A,6,6,9A-TETRAMETHYL-, (3AR-(3A.ALPHA.,5A.BETA.,9A.ALPHA.,9B.BETA.))-, Naphtho[2,1-b]furan, dodecahydro-3a,6,6,9a-tetramethyl-, [3aR-(3a.alpha.,5a.beta.,9a.alpha.,9b.beta.)]-, (3aR,5aS,9aS,9bR)-3a,6,6,9a-tetramethyldodecahydronaphtho(2,1-b)furan, (3aR,5aS,9aS,9bR)-3a,6,6,9a-tetramethyl-2,4,5,5a,7,8,9,9b-octahydro-1H-benzo(e)(1)benzofuran, RefChem:556925, AMBROXIDE, (+-)-, (+-)-(3A.ALPHA.,5A.BETA.,9A.ALPHA.,9B.BETA.)-3A,6,6,9A-TETRAMETHYLDODECAHYDRONAPHTHO(2,1-B)FURAN, (+-)-(3AALPHA,5ABETA,9AALPHA,9BBETA)-3A,6,6,9A-TETRAMETHYLDODECAHYDRONAPHTHO(2,1-B)FURAN, FEMA No. 3471, (+/-)-Ambrox, Ambroxide, (+/-)-, MFCD00134491, 8alpha,12-Oxido-13,14,15,16-tetranorlabdane, A1EI5, 1,5,5,9-Tetramethyl-13-oxatricyclo(8.3.0.0(4,9))tridecane, (-)-, UNII-TD34B3O8M9, 1,5,5,9-Tetramethyl-13-oxatricyclo[8.3.0.04,9]tridecane, Ambroxide (Standard), UNII-K60YJF1E9A, (-)-Ambroxide, 99%, SCHEMBL114912, (-)-Ambroxide, >=99%, CHEMBL496447, orb1299785, HY-N1384R, (-)-Ambroxide, analytical standard, HY-N1384, Tox21_302674, s5175, (3aR,5aS,9aS,9bR)-3a,6,6,9a-tetramethyl-dodecahydronaphtho[2,1-b]furan, AKOS025311143, CCG-266845, EBC-617687, NCGC00256883-01, AC-35128, AS-56452, CAS-6790-58-5, A2472, CS-0016804, NS00096106, D88521, Q2793438, F0001-1783, 1,5,5,9-Tetramethyl-13-oxatricyclo[8.3.0.0(4,9)]tridecane, 1,5,5,9-Tetramethyl-13-oxatricyclo(8.3.0.0(sup 4,9))tridecane, (+/-)-(3aalpha,5abeta,9aalpha,9bbeta)-3a,6,6,9a-Tetramethyldodecahydronaphtho(2,1-b)furan, (+/-)-(3A.ALPHA.,5A.BETA.,9A.ALPHA.,9B.BETA.)-3A,6,6,9A-TETRAMETHYLDODECAHYDRONAPHTHO(2,1-B)FURAN, (3aR,5aS,9aS,9bR)-3a,6,6,9a-tetramethyl-2,4,5,5a,7,8,9,9b-octahydro-1H-benzo[e]benzofuran, (3AR-(3aalpha,5abeta,9aalpha,9bbeta))-dodecahydro-3a,6,6,9a-tetramethylnaphtho(2,1-b)furan, NAPHTHO(2,1-B)FURAN, DODECAHYDRO-3A,6,6,9A-TETRAMETHYL-, (3A.ALPHA.,5A.BETA.,9A.ALPHA.,9B.BETA.)-(+/-)-, Naphtho(2,1-b)furan, dodecahydro-3a,6,6,9a-tetramethyl-, (3aalpha,5abeta,9aalpha,9bbeta)-(+/-)-
Theoretical properties:
molecular_formula: C16H28O
molecular_weight: 236.39 g/mol
exact_mass: 236.214015512 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 1
rotatable_bond_count: 0
heavy_atom_count: 17
topological_polar_surface_area: 9.2 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Ambroxan is a diterpenoid derived from sclareol that is responsible for the odour of ambergris (a solid, waxy, flammable substance produced in the digestive system of sperm whales). It is a diterpenoid and an organic heterotricyclic compound.
chebi: A diterpenoid derived from sclareol that is responsible for the odour of ambergris (a solid, waxy, flammable substance produced in the digestive system of sperm whales).
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Ambroxide, widely known by the brand name Ambroxan, is a naturally occurring terpenoid and one of the key constituents responsible for the odor of ambergris. It is an autoxidation product of ambrein. Ambroxide is used in perfumery for creating ambergris notes and as a fixative. Ambroxide has a scent with woody, musky and slightly salty nuances. Another name for ambroxan is ambrocenide. Small amounts (< 0.01 ppm) are used as a flavoring in food.
The aroma is described as (characteristically) ambergris, sweet, labdanum, dry, woody, pine, cedar, green, and seedy.