(9S)-4,15-dimethoxy-10-azatetracyclo[7.7.1.0²,?.0¹³,¹?]heptadeca-1(16),2(7),3,5,13(17),14-hexaene-5,16-diol

(9S)-4,15-dimethoxy-10-azatetracyclo[7.7.1.0²,?.0¹³,¹?]heptadeca-1(16),2(7),3,5,13(17),14-hexaene-5,16-diol

CAS: 23599-69-1

Formula: C18H19NO4

SMILES: [H][C@@]12CC3=C(C=C(OC)C(O)=C3)C3=C(O)C(OC)=CC(CCN1)=C23

IUPAC: (9S)-4,15-dimethoxy-10-azatetracyclo[7.7.1.0²,?.0¹³,¹?]heptadeca-1(16),2(7),3,5,13(17),14-hexaene-5,16-diol

InChI: InChI=1S/C18H19NO4/c1-22-14-8-11-10(6-13(14)20)5-12-16-9(3-4-19-12)7-15(23-2)18(21)17(11)16/h6-8,12,19-21H,3-5H2,1-2H3/t12-/m0/s1

Composition: C (69.00%), H (6.11%), N (4.47%), O (20.42%)

Molar Mass: 313.353

Atom Count: 42

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	313.131408096
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
InChIKey	HORZNQYQXBFWNZ-LBPRGKRZSA-N
Lipinski's Rule of Five	1
Molar Refractivity	87.62
Topological Polar Surface Area	70.95
Polarizability	34.79
Ring Count	4
Rotatable Bond Count	2

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