Retusine

(1R,4R,5S,6R,10R,16R)-6-hydroxy-4,5,6-trimethyl-2,8-dioxa-13-azatricyclo[8.5.1.013,16]hexadecane-3,7-dione

Also Known As: Retusine|RETUSIN (ALKALOID)|(1R,4R,5S,6R,10R,16R)-6-hydroxy-4,5,6-trimethyl-2,8-dioxa-13-azatricyclo[8.5.1.013,16]hexadecane-3,7-dione|(1R,7aR)-7-hydroxymethyl-2,3,5,7a-tetrahydro-1H-pyrrolizin-1-ol|(4R,5S,6R,8aR,8a1R,13aR)-4-hydroxy-4,5,6-trimethyldecahydro-3H-[1,6]dioxacycloundecino[2,3,4-gh]pyrrolizine-3,7(4H)-dione|(3R,4S,5R,8aR,13aR,13bR)-5-Hydroxy-3,4,5-trimethyldecahydro-2H-[1 ,6]dioxacycloundecino[2,3,4-gh]pyrrolizine-2,6(3H)-dione|(3R,4S,5R,8aR,13aR,13bR)-5-Hydroxy-3,4,5-trimethyldecahydro-2H-[1,6]dioxacycloundecino[2,3,4-gh]pyrrolizine-2,6(3H)-dione|(3R,4S,5R,8AR,13AR,13BR)-DECAHYDRO-5-HYDROXY-3,4,5-TRIMETHYL-2H-(1,6)DIOXACYCLOUNDECINO(2,3,4-GH)PYRROLIZINE-2,6(3H)-DIONE|20-NORCROTALANAN-11,15-DIONE, 1,2,14,19-TETRAHYDRO-12-HYDROXY-, (1.BETA.,13.ALPHA.,14.ALPHA.)-|20-Norcrotalanan-11,15-dione, 1,2,14,19-tetrahydro-12-hydroxy-, (1beta,13alpha,14alpha)-|2H-(1,6)DIOXACYCLOUNDECINO(2,3,4-GH)PYRROLIZINE-2,6(3H)-DIONE, 4,5,8,8A,9,10,12,13,13A,13B-DECAHYDRO-5-HYDROXY-3,4,5-TRIMETHYL-, (3R-(3R*,4S*,5R*,8AR*,13AR*,13BR*))-|2H-(1,6)DIOXACYCLOUNDECINO(2,3,4-GH)PYRROLIZINE-2,6(3H)-DIONE, DECAHYDRO-5-HYDROXY-3,4,5-TRIMETHYL-, (3R,4S,5R,8AR,13AR,13BR)-|5-Hydroxy-3,4,5-trimethyldecahydro-2H-[1,6]dioxacycloundecino[2,3,4-gh]pyrrolizine-2,6(3H)-dione

Molecular Formula	C16H25NO5
Molecular Weight	311.17328 g/mol
LogP	0.5724
Topological Polar Surface Area	76.07 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	6
Rotatable Bonds	0
Exact Mass	311.17328
Monoisotopic Mass	311.17328
Heavy Atoms	22
Complexity	477.15662

Chemical Identifiers

CAS Number	480-86-4
SMILES	C[C@@H]1[C@@H]([C@@](C(=O)OC[C@@H]2CCN3[C@H]2[C@@H](CC3)OC1=O)(C)O)C