AG00IKJR

61281-37-6 | Benzo[3,4]cycloocta[1,2-f][1,3]benzodioxole,5,6,7,8-tetrahydro-1,2,3,13-tetramethoxy-6,7-dimethyl-, stereoisomer

AG00IKJR

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CAS Number	61281-37-6
Catalog Number	AG00IKJR(AGN-PC-0SZS27)
Chemical Name	Benzo[3,4]cycloocta[1,2-f][1,3]benzodioxole,5,6,7,8-tetrahydro-1,2,3,13-tetramethoxy-6,7-dimethyl-, stereoisomer
IUPAC Name	3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaene
InChI	InChI=1S/C23H28O6/c1-12-7-14-9-16(24-3)20(25-4)22(26-5)18(14)19-15(8-13(12)2)10-17-21(23(19)27-6)29-11-28-17/h9-10,12-13H,7-8,11H2,1-6H3
InChI Key	RTZKSTLPRTWFEV-UHFFFAOYSA-N
MDL Number	MFCD00887634
Molecular Formula	C23H28O6
Molecular Weight	400.4648
SMILES	C[C@]1([H])CC2=CC(OC)=C(OC)C(OC)=C2C3=C(OC)C4=C(OCO4)C=C3C[C@]1([H])C
Synonyms	(+--)-gamma-schizandrin, (-)-gomisin N, Benzo(3,4)cycloocta(1,2-f)(1,3)benzodioxole, 5,6,7,8-tetrahydro-1,2,3,13-tetramethoxy-6,7-dimethyl-, (6R,7S,13aR)-, benzo(3,4)cycloocta(1,2-F)(1,3)benzodioxole, 5,6,7,8-tetrahydro-1,2,3,13-tetramethoxy-6,7-dimethyl-, (6R,7S,13AS)-, gamma-schizandrin, gomisin N, schisandrin B, schizandrin B, wuweizisu b, Schisandrin B, Schizandrin B, 61281-37-6, gomisin N, gamma-Schisandrin, Gamma-schizandrin, CHEMBL479488, 1,2,3,13-tetramethoxy-6,7-dimethyl-5,6,7,8-tetrahydrobenzo[3',4']cycloocta[1',2':4,5]benzo[1,2-d][1,3]dioxole, Q-100707, Schizandrin-B, Benzo(3,4)cycloocta(1,2-f)(1,3)benzodioxole, 5,6,7,8-tetrahydro-1,2,3,13-tetramethoxy-6,7-dimethyl-, stereoisomer, S(-) Schisandrin B, Gamma-Schisandrin ,(S), AC1L33EB, AC1Q703N, SCHEMBL3380716, CTK8D7637, HMS3652I13, BDBM50341711, AKOS015897166, API0002859, CCG-208607, MCULE-2402982355, NCGC00163663-01, AN-39354, LS-33970, SC-49964, V1533, 281S376, SR-05000002175, I07-0288, SR-05000002175-2, 713102-92-2, Isokadsuranin, Wuweizisu B, Rubschisandrin, Kadsuranin, SchizandrinB, UNII-02XA4X3KZW, KST-1B7371, C23H28O6, AR-1B5003, CID108130, C23-H28-O6, 69176-52-9, 68052-09-5, 82467-52-5, 82467-51-4,

Complexity	544
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	400.189g/mol
Formal Charge	0
Heavy Atom Count	29
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	400.471g/mol
Monoisotopic Mass	400.189g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	55.4A^2
Undefined Atom Stereocenter Count	2
Undefined Bond Stereocenter Count	0
XLogP3	5.1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number