(9S,10S)-3,4,5,14,15,16-hexamethoxy-9,10-dimethyltricyclo[10.4.0.0²,?]hexadeca-1(12),2(7),3,5,13,15-hexaen-9-ol

(9S,10S)-3,4,5,14,15,16-hexamethoxy-9,10-dimethyltricyclo[10.4.0.0²,?]hexadeca-1(12),2(7),3,5,13,15-hexaen-9-ol

CAS: 7432-28-2

Formula: C24H32O7

SMILES: COC1=CC2=C(C(OC)=C1OC)C1=C(C[C@](C)(O)[C@@H](C)C2)C=C(OC)C(OC)=C1OC

IUPAC: (9S,10S)-3,4,5,14,15,16-hexamethoxy-9,10-dimethyltricyclo[10.4.0.0²,?]hexadeca-1(12),2(7),3,5,13,15-hexaen-9-ol

InChI: InChI=1S/C24H32O7/c1-13-9-14-10-16(26-3)20(28-5)22(30-7)18(14)19-15(12-24(13,2)25)11-17(27-4)21(29-6)23(19)31-8/h10-11,13,25H,9,12H2,1-8H3/t13-,24-/m0/s1

Composition: C (66.65%), H (7.46%), O (25.89%)

Molar Mass: 432.513

Atom Count: 63

Heavy Atom Count: 31

Properties

Properties

Common Names	schisandrin
Aromatic Ring Count	2
Asymmetric Atom Count	2
Exact Mass	432.21480337
Formal Charge	0
FSP3	0.5
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
InChIKey	YEFOAORQXAOVJQ-RZFZLAGVSA-N
Lipinski's Rule of Five	1
Molar Refractivity	118.23
Topological Polar Surface Area	75.61
Polarizability	47.17
Ring Count	3
Rotatable Bond Count	6

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