AG003RZT

32388-55-9 | 1-((3R,3Ar,7R,8As)-3,6,8,8-Tetramethyl-2,3,4,7,8,8A-Hexahydro-1H-3A,7-Methanoazulen-5-Yl)Ethanone

AG003RZT

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CAS Number	32388-55-9
Catalog Number	AG003RZT(AGN-PC-0R7PZH)
Chemical Name	1-((3R,3Ar,7R,8As)-3,6,8,8-Tetramethyl-2,3,4,7,8,8A-Hexahydro-1H-3A,7-Methanoazulen-5-Yl)Ethanone
EC Number	251-020-3
IUPAC Name	1-[(1R,2R,5S,7R)-2,6,6,8-tetramethyl-9-tricyclo[5.3.1.01,5]undec-8-enyl]ethanone
InChI	InChI=1S/C17H26O/c1-10-6-7-15-16(4,5)14-9-17(10,15)8-13(11(14)2)12(3)18/h10,14-15H,6-9H2,1-5H3/t10-,14+,15+,17+/m1/s1
InChI Key	YBUIAJZFOGJGLJ-SWRJLBSHSA-N
MDL Number	MFCD03410252
Molecular Formula	C17H26O
Molecular Weight	246.3877
SMILES	CC(C1=C(C)[C@@]2([H])C(C)(C)[C@]3([H])CC[C@@H](C)[C@@]3(C2)C1)=O
UNII	X6I62755AK
Synonyms	acetyl cedrene, 1-((3R,3aR,7R,8aS)-3,6,8,8-Tetramethyl-2,3,4,7,8,8a-hexahydro-1H-3a,7-methanoazulen-5-yl)ethanone, 32388-55-9, UNII-X6I62755AK, 1-cedr-8-en-9-ylethanone, Acetylcedrene, Vertofix, X6I62755AK, DSSTox_CID_9353, DSSTox_RID_78769, DSSTox_GSID_29353, Lixetone, Ethanone, 1-((3R,3aR,7R,8aS)-2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-5-yl)-, Ethanone, 1-[(3R,3aR,7R,8aS)-2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-5-yl]-, Acetyl-alpha-cedrene, CAS-32388-55-9, 9-Acetyl-8-cedrene, 9-Acetylcedr-8-ene, EINECS 251-020-3, EC 251-020-3, SCHEMBL1629517, CHEMBL3184309, DTXSID4029353, Tox21_202194, Tox21_303481, ZINC25722230, NCGC00249184-01, NCGC00257473-01, NCGC00259743-01, AJ-82052, Ethanone, 1-(2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-5-yl)-, (3R-(3alpha,3abeta,7beta,8aalpha))-, (3R-(3alpha,3abeta,7beta,8aalpha))-1-(2,3,4,7,8,8a-Hexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-5-yl)ethan-1-one, 1-[[(3R)-2,3,4,7,8,8abeta-Hexahydro-3beta,6,8,8-tetramethyl-1H-3aalpha,7alpha-methanoazulen]-5-yl]ethanone, Acetyl cedrene, C17H26O, C17-H26-O, (3R - (3a,3ab,7b,8aa)) - 1 - (2,3,4,7,8,8a - hexahydro - 3,6,8,8 - tetramethyl - 1H - 3a,7 - methanoazulen - 5 - yl)ethan - 1 - one, [3R-(3alpha,3abeta,7beta,8aalpha)]-1-(2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-5-yl)ethan-1-one, Etanona, 1-[(3R,3aR,7R,8aS)-2,3,4,7,8,8a-hexahidro-3,6,8,8-tetrametil-1H-3a,7-metanoazulen-5-il]-, Ethanone, 1-((3R,3aS,7R,8aS)-2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-5-yl)-, Ethanone, 1-(2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-5-yl)-, [3R-(3.alpha.,3a.beta.,7.beta.,8a.alpha.)]-, Ethanone, 1-[(3R,3aS,7R,8aS)-2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-5-yl]-,

Complexity	443
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Exact Mass	246.198g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	246.394g/mol
Monoisotopic Mass	246.198g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302
Packing Group	\N
Precautionary statements	P280-P305+P351+P338
UN Code	\N

Certificate of Analysis

Lot Number