N-[(10S)-3,4,5,14-tetramethoxy-13-oxotricyclo[9.5.0.0²,?]hexadeca-1(16),2(7),3,5,11,14-hexaen-10-yl](²H?)acetamide

N-[(10S)-3,4,5,14-tetramethoxy-13-oxotricyclo[9.5.0.0²,?]hexadeca-1(16),2(7),3,5,11,14-hexaen-10-yl](²H?)acetamide

CAS: 1217625-62-1

Formula: C22H25NO6

SMILES: [2H]C([2H])([2H])C(=O)N[C@H]1CCC2=C(C(OC)=C(OC)C(OC)=C2)C2=CC=C(OC)C(=O)C=C12

IUPAC: N-[(10S)-3,4,5,14-tetramethoxy-13-oxotricyclo[9.5.0.0²,?]hexadeca-1(16),2(7),3,5,11,14-hexaen-10-yl](²H?)acetamide

InChI: InChI=1S/C22H25NO6/c1-12(24)23-16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)/t16-/m0/s1/i1D3

Composition: C (65.66%), H (5.51%), [2H] (1.50%), N (3.48%), O (23.85%)

Molar Mass: 402.461

Atom Count: 54

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	402.187017767
Formal Charge	0
FSP3	0.36
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
InChIKey	IAKHMKGGTNLKSZ-AVSFSGARSA-N
Lipinski's Rule of Five	1
Molar Refractivity	111.38
Topological Polar Surface Area	83.09
Polarizability	41.64
Ring Count	3
Rotatable Bond Count	5

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