Jervinone

(3'R,3'aS,6'S,6aS,6bS,7'aR,9R,11aS,11bR)-3',6',10,11b-tetramethylspiro[2,5,6,6a,6b,7,8,11a-octahydro-1H-benzo[a]fluorene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-3,11-dione

Also Known As: Jervinone|(+)-Jervinone|(-)-Jervinone|HY-N11918|(23R)-17,23-epoxy-veratra-4,12-diene-3,11-dione|17,23beta-Epoxy-4-dehydro-6-hydroveratraman-3,11-dione|5,6-Dihydro-4,5-didehydro-17,23beta-epoxyveratraman-3,11-dione|(3'R,3'aS,6'S,6aS,6bS,7'aR,9R,11aS,11bR)-3',6',10,11b-tetramethylspiro[2,5,6,6a,6b,7,8,11a-octahydro-1H-benzo[a]fluorene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-3,11-dione|(17beta,23R)-4,5-didehydro-5,6-dihydro-17,23-epoxyveratraman-3,11-dione|(22S,23R)-17beta-4,5-Didehydro-5,6-dihydro-17,23-epoxyveratraman-3,11-dione|(3'R,3'aS,6'S,6aS,6bS,7'aR,9R,11aS,11bR)-3',6',10,11b-tetramethyl-1,2,3,3'a,4',5,5',6,6',6a,6b,7,7',7'a,8,11,11a,11b-octadecahydro-3'H-spiro[cyclohexa[a]fluorene-9,2'-furo[3,2-b]pyridine]-3,11-dione|spiro[9H-benzo[a]fluorene-9,2'(3'H)-furo[3,2-b]pyridine]-3,11-dione, 1,2,3'a,4',5,5',6,6',6a,6b,7,7',7'a,8,11a,11b-hexadecahydro-3',6',10,11b-tetramethyl-, (3a'S,6'S,6aS,6bS,7a'R,9R,11aS,11bR)-

Molecular Formula	C27H37NO3
Molecular Weight	423.27734 g/mol
LogP	2.9
Topological Polar Surface Area	55.4 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	0
Exact Mass	423.27734
Monoisotopic Mass	423.27734
Heavy Atoms	31
Complexity	917.0

Chemical Identifiers

CAS Number	469-60-3
SMILES	C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@@]6([C@H]5C(=O)C4=C3C)C)C)NC1
InChIKey	KLTPAUQDYRELPI-WKWNSBFHSA-N