Stephaglabrine

bis((4R)-10,11-dimethoxyspiro[5-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene-2,4'-cyclohexa-2,5-diene]-1'-one);sulfuric acid

Also Known As: Stephaglabrine|KST-1A4337|(8a'r)-5',6'-dimethoxy-2',3',8',8a'-tetrahydro-1'h,4h-spiro[cyclohexa-2,5-diene-1,7'-cyclopenta[ij]isoquinolin]-4-one sulfate(2:1)|Spiro(2,5-cyclohexadiene-1,7'(1'H)-cyclopent(ij)isoquinolin)-4-one, 2',3',8',8'a-tetrahydro-5',6'-dimethoxy-, (R)-, sulfate (2:1)|(4R)-10,11-dimethoxyspiro[5-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene-2,4'-cyclohexa-2,5-diene]-1'-one;sulfuric acid|(R)-5',6'-Dimethoxy-2',3',8',8a'-tetrahydro-1'H-spiro[cyclohexa[2,5]diene-1,7'-cyclopenta[ij]isoquinolin]-4-one sulfate(2:1)|(R)-5',6'-Dimethoxy-2',3',8',8a'-tetrahydro-1'H-spiro[cyclohexa[2,5]diene-1,7'-cyclopenta[ij]isoquinolin]-4-onesulfate(2:1)|{(1s,6s,7r,7as)-6-(acetyloxy)-1-[(3-methylbutanoyl)oxy]-6,7a-dihydro-1h-spiro[cyclopenta[c]pyran-7,2'-oxiran]-4-yl}methyl 3-methylbutanoate|Sulfuric acid--(8'aR)-5',6'-dimethoxy-2',3',8',8'a-tetrahydro-1'H-spiro[cyclohexa-2,5-diene-1,7'-cyclopenta[ij]isoquinolin]-4-one (1/2)|Sulfuric acid--5',6'-dimethoxy-2',3',8',8'a-tetrahydro-1'H-spiro[cyclohexa-2,5-diene-1,7'-cyclopenta[ij]isoquinolin]-4-one (1/2)

Molecular Formula	C36H40N2O10S
Molecular Weight	692.24036 g/mol
LogP	3.8016
Topological Polar Surface Area	178.0 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	12
Rotatable Bonds	4
Exact Mass	692.24036
Monoisotopic Mass	692.24036
Heavy Atoms	49
Complexity	592.0

Chemical Identifiers

CAS Number	374-00-5
SMILES	COC1=C(C2=C3[C@@H](CC24C=CC(=O)C=C4)NCCC3=C1)OC.COC1=C(C2=C3[C@@H](CC24C=CC(=O)C=C4)NCCC3=C1)OC.OS(=O)(=O)O
InChIKey	WQXNJLWZONPQQK-WFEKIRLUSA-N