AG00IATX

61281-38-7 | Dibenzo[a,c]cyclooctene,5,6,7,8-tetrahydro-1,2,3,10,11,12-hexamethoxy-6,7-dimethyl-,(6R,7S,12aR)-

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CAS Number	61281-38-7
Catalog Number	AG00IATX(AGN-PC-0SZS8P)
Chemical Name	Dibenzo[a,c]cyclooctene,5,6,7,8-tetrahydro-1,2,3,10,11,12-hexamethoxy-6,7-dimethyl-,(6R,7S,12aR)-
IUPAC Name	(9R,10S)-3,4,5,14,15,16-hexamethoxy-9,10-dimethyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene
InChI	InChI=1S/C24H32O6/c1-13-9-15-11-17(25-3)21(27-5)23(29-7)19(15)20-16(10-14(13)2)12-18(26-4)22(28-6)24(20)30-8/h11-14H,9-10H2,1-8H3/t13-,14+
InChI Key	JEJFTTRHGBKKEI-OKILXGFUSA-N
MDL Number	MFCD09026934
Molecular Formula	C24H32O6
Molecular Weight	416.5073
SMILES	O(C)c1c2c3c(OC)c(OC)c(cc3CC(C(Cc2cc(c1OC)OC)C)C)OC
UNII	74XQL5DO3S
Synonyms	deoxyschisandrin, deoxyschizandrin, schisandrin A, schizandrin A, Schizandrin A, schisandrin A, 61281-38-7, Deoxyschisandrin, Deoxyschizandrin, (-)-Deoxyschizandrin, UNII-74XQL5DO3S, 74XQL5DO3S, 69176-53-0, hexamethoxy(dimethyl)[?], Di-O-methylgomisin J, (-)-Deoxyschisandrin, (-)-Dimethylgomisin J, schisandrin-a, Wuweizisu A, Dibenzo(a,c)cyclooctene, 5,6,7,8-tetrahydro-1,2,3,10,11,12-hexamethoxy-6,7-dimethyl-, stereoisomer, (+)-Deoxyschizandrin, AC1L4DWV, MLS000728483, CHEMBL253908, GTPL2769, SCHEMBL2404905, CTK8E8737, DTXSID10219222, Dibenzo(a,c)cyclooctene, 5,6,7,8-tetrahydro-6,7-dimethyl-1,2,3,10,11,12-hexamethoxy-, HMS2227F15, Schisandrin A, analytical standard, HY-N0693, Schisandrin A, >=98% (HPLC), MFCD09026934, ZINC18269545, AKOS015960456, CS-3658, AC-11192, Dibenzo(a,c)cyclooctene, 5,6,7,8-tetrahydro-1,2,3,10,11,12-hexamethoxy-6,7-dimethyl-, (6R,7S,12aS)-, SMR000445690, NCGC00385070-01!, TR-021103, V0367, A14531, SR-01000777559, SR-01000777559-3, (9S,10R)-3,4,5,14,15,16-hexamethoxy-9,10-dimethyltricyclo[10.4.0.0^{2,7}]hexadeca-1(16),2,4,6,12,14-hexaene, SchizandrinA, D0Y4YV, C22H28O6, CID155256, ACN-035657, C24-H32-O6, C034734, Deoxyschizandrin, 98%, from Schisandra chinensis (Turcz.) Baill. - 25MG 25mg,

Complexity	484
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	416.22g/mol
Formal Charge	0
Heavy Atom Count	30
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	416.514g/mol
Monoisotopic Mass	416.22g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	55.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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