Neoanisatin

(1S,2R,5R,6R,7R,8R,11R)-5,7,11-trihydroxy-2,7-dimethylspiro[9-oxatricyclo[6.3.1.01,5]dodecane-6,3'-oxetane]-2',10-dione

Also Known As: Neoanisatin|KST-1A2388|Morphinan-4-ol,17-(cyclopropylmethyl)-14-methoxy|(1S,2R,5R,6R,7R,8R,11R)-5,7,11-trihydroxy-2,7-dimethylspiro[9-oxatricyclo[6.3.1.01,5]dodecane-6,3'-oxetane]-2',10-dione|Hexahydro-1,5,6a-trihydroxy-5,9-dimethylspiro(6H-4,9a-methanocyclopent(d)oxocin-6,3'-oxetane)-2,2'(1H)-dione (1R-(1alpha,4beta,5beta,6beta,6aalpha,9alpha,9abeta))-|Spiro(6H-4,9a-methanocyclopent(d)oxocin-6,3'-oxetane)-2,2'(1H)-dione, hexahydro-1,5,6a-trihydroxy-5,9-dimethyl-, (1S-(1-alpha,4-beta,5-beta,6-beta,6a-alpha,9-alpha,9a-beta))-|(1r,4r,5r,6r,6ar,9r,9as)-1,5,6a-trihydroxy-5,9-dimethylhexahydrospiro[4,9a-methanocyclopenta[d]oxocine-6,3'-oxetane]-2,2'(1h)-dione|(1R,4R,5R,6R,6aR,9R,9aS)-4,5,6a,7,8,9-Hexahydro-1,5,6a-trihydroxy-5,9-dimethylspiro[6H-4,9a-methanoc|(1'S,2'R,3R,5'R,7'R,8'R,11'R)-5',7',11'-trihydroxy-2',7'-dimethyl-9'-oxaspiro[oxetane-3,6'-tricyclo[6.3.1.01,5]dodecane]-4,10'-dione|(1R,3'R,4R,5R,6aR,9R,9aS)-1,5,6a-Trihydroxy-5,9-dimethylhexahydrospiro[4,9a-methanocyclopenta[d]oxocine-6,3'-oxetane]-2,2'(1H)-dione|(1R,4R,5R,6R,6aR,9R,9aS)-4,5,6a,7,8,9-Hexahydro-1,5,6a-trihydroxy-5,9-dimethylspiro[6H-4,9a-methanocyclopenta[d]oxocin-6,3 -oxetane]-2,2 (1H)-dione|(1S,2R,5R,6R,7R,8R,11R)-5,7,11-trihydroxy-2,7-dimethylspiro(9-oxatricyclo(6.3.1.01,5)dodecane-6,3'-oxetane)-2',10-dione|1,5,6a-Trihydroxy-5,9-dimethylhexahydrospiro[4,9a-methanocyclopenta[d]oxocine-6,3'-oxetane]-2,2'(1H)-dione|Spiro[4H-4,9a-methanocyclopent[d]oxocin-6(2H),3'-oxetane]-2,2'-dione,hexahydro-1,5,6a-trihydroxy-5,9-dimethyl-, (1R,3'R,4R,5R,6aR,9R,9aS)-

Molecular Formula	C15H20O7
Molecular Weight	312.1209 g/mol
LogP	-0.9
Topological Polar Surface Area	113.0 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	7
Rotatable Bonds	0
Exact Mass	312.1209
Monoisotopic Mass	312.1209
Heavy Atoms	22
Complexity	590.0

Chemical Identifiers

CAS Number	19213-35-5
SMILES	C[C@@H]1CC[C@]2([C@@]13C[C@H]([C@]([C@@]24COC4=O)(C)O)OC(=O)[C@@H]3O)O
InChIKey	OHFIOPJOZFMKFF-HIIDGFEESA-N