AG002NIB

23513-08-8 | 3-Dodecanone, 5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-, (5S)-

AG002NIB

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CAS Number	23513-08-8
Catalog Number	AG002NIB(AGN-PC-0O83VZ)
Chemical Name	3-Dodecanone, 5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-, (5S)-
IUPAC Name	(5S)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)dodecan-3-one
InChI	InChI=1S/C19H30O4/c1-3-4-5-6-7-8-16(20)14-17(21)11-9-15-10-12-18(22)19(13-15)23-2/h10,12-13,16,20,22H,3-9,11,14H2,1-2H3/t16-/m0/s1
InChI Key	BCIWKKMTBRYQJU-INIZCTEOSA-N
MDL Number	MFCD00877794
Molecular Formula	C19H30O4
Molecular Weight	322.4391
SMILES	C(CC(=O)C[C@H](CCCCCCC)O)c1cc(OC)c(cc1)O
UNII	LB0IJB138K
Synonyms	8-gingerol, 8-Gingerol, 23513-08-8, (8)-Gingerol, [8]-Gingerol, UNII-LB0IJB138K, LB0IJB138K, (5s)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)dodecan-3-one, CHEMBL1095671, CHEBI:81133, MFCD00877794, (S)-(+)-5-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-dodecanone, 3-Dodecanone, 5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-, (S)-(+)-, Q-100299, (S)-5-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-dodecanone, AC1Q5CKH, SCHEMBL16488703, CTK4F1632, DTXSID20178078, BCIWKKMTBRYQJU-INIZCTEOSA-N, [8]-Gingerol, analytical standard, AC1L5180, ZINC1537498, BDBM50317426, CG0024, [8]-Gingerol, >=95% (HPLC), AKOS025311538, BC682323, LS-63520, AB3000019, FT-0626693, N1448, V2321, A14476, C17495, 462G352, C-19734, (S)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)dodecan-3-one, (5s)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl) dodecan-3-one, 3-Dodecanone, 5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-, (5S)-, 3-Dodecanone,5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-, (5S)-, (S)-5-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-dodecanone;8-Gingerol, AIDS228300, KST-1A3321, C19H30O4, AR-1A6512, CID168114, ACN-047019, C19-H30-O4, 30462-35-2, 8-Gingerol, 98%, from Zingiber officinale Roscoe - 10MG 10mg, 26795-76-6,

Complexity	319
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	322.214g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	322.445g/mol
Monoisotopic Mass	322.214g/mol
Rotatable Bond Count	12
Topological Polar Surface Area	66.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H317-H413
Packing Group
Precautionary statements	P261-P272-P273-P280-P302+P352-P321-P333+P313-P363-P501
UN Code

Certificate of Analysis

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