Unii-6Z34580guz

(1R,2S,5R,8S,9S,12R,13R)-8,12-dihydroxy-2,6,6',6',9,13-hexamethyl-16-methylidenespiro[10,14-dioxatetracyclo[7.6.1.01,12.02,7]hexadec-6-ene-5,5'-pyran]-2',11,15-trione

Also Known As: Austinol|Dehydroaustinol|DESACETYLAUSTIN|AUSTIN, O17-DEACETYL-|(1R,2S,5R,8S,9S,12R,13R)-8,12-dihydroxy-2,6,6',6',9,13-hexamethyl-16-methylidenespiro[10,14-dioxatetracyclo[7.6.1.01,12.02,7]hexadec-6-ene-5,5'-pyran]-2',11,15-trione|Spiro(1H-6,11b-methano-4H-furo(3,4-e)(3)benzoxocin-9(10H),3'(6'H)-(2H)pyran)-1,4,6'-trione, 3,3a,6,7,11,11a-hexahydro-3a,7-dihydroxy-2',2',3,6,8,11a-hexamethyl-12-methylene-, (3S,3'S,3aS,6R,7R,11aS,11bS)-|(3R,3'R,3aR,6S,7S,11aS,11bR)-3a,7-Dihydroxy-2',2',3,6,8,11a-hexamethyl-12-methylidene-3,3a,6,7,11,11a-hexahydro-1H,2'H,4H,6'H,10H-spiro[6,11b-methanofuro[3,4-e][3]benzoxocine-9,3'-pyran]-1,4,6'-trione|3a,7-Dihydroxy-2',2',3,6,8,11a-hexamethyl-12-methylidene-3,3a,6,7,11,11a-hexahydro-1H,2'H,4H,6'H,10H-spiro[6,11b-methanofuro[3,4-e][3]benzoxocine-9,3'-pyran]-1,4,6'-trione|SPIRO(1H-6,11B-METHANO-4H-FURO(3,4-E)(3)BENZOXOCIN-9(10H),3'(6'H)-(2H)PYRAN)-1,4,6'-TRIONE, 3,3A,6,7,11,11A-HEXAHYDRO-3A,7-DIHYDROXY-2',2',3,6,8,11A-HEXAMETHYL-12-METHYLENE-, (3S-(3.ALPHA.,3A.ALPHA.,6.BETA.,7.BETA.,9.BETA.,11A.BETA.,11B.BETA.))-|SPIRO(3AH-6,11B-METHANO-3H-BENZO(E)FURO(3,4-C)OXOCIN-9(10H),3'(6'H)-(2H)PYRAN)-1,4,6'-TRIONE, 6,7,11,11A-TETRAHYDRO-3A,7-DIHYDROXY-2',2',3,6,8,11A-HEXAMETHYL-12-METHYLENE-, (3R,3'R,3AR,6S,7S,11AS,11BR)-

Molecular Formula	C25H30O8
Molecular Weight	458.19406 g/mol
LogP	1.89
Topological Polar Surface Area	119.36 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	8
Rotatable Bonds	0
Exact Mass	458.19406
Monoisotopic Mass	458.19406
Heavy Atoms	33
Complexity	1115.4408

Chemical Identifiers

CAS Number	72040-27-8
SMILES	C[C@@H]1[C@]2(C(=O)O[C@@]3([C@H](C4=C([C@@]5(CC[C@@]4([C@]2(C3=C)C(=O)O1)C)C=CC(=O)OC5(C)C)C)O)C)O