AC1L4J8T

(1R,3S,5S,6R,8R,10S,12S,14S,15S,17R,18S,19R,23R)-5,17,22-trihydroxy-6-methoxy-8,14,18-trimethyl-19-(5-oxo-2H-furan-3-yl)-4,9,11-trioxahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacosan-16-one

Also Known As: Card-20(22)-enolide, 12,14-dihydroxy-11-oxo-2,3-(((2S,3S,4R,6R)-tetrahydro-3-hydroxy-4-methoxy-6-methyl-2H-pyran-3,2-diyl)bis(oxy))-, (2alpha,3beta,5beta,12alpha)-|(1R,3bR,5aR,6aS,7aS,8R,10R,11aS,12aS,13aS,13bS,15R,15aS)-3a,7a,15-Trihydroxy-8-methoxy-10,13a,15a-trimethyl-1-(5-oxo-2,5-dihydrofuran-3-yl)icosahydro-8H,14H-cyclopenta[7,8]phenanthro[2,3-b]pyrano[2,3-e][1,4]dioxin-14-one|3a,7a,15-Trihydroxy-8-methoxy-10,13a,15a-trimethyl-1-(5-oxo-2,5-dihydrofuran-3-yl)icosahydro-8H,14H-cyclopenta[7,8]phenanthro[2,3-b]pyrano[2,3-e][1,4]dioxin-14-one

Molecular Formula	C30H42O10
Molecular Weight	562.2778 g/mol
LogP	0.8
Topological Polar Surface Area	141.0 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	10
Rotatable Bonds	2
Exact Mass	562.2778
Monoisotopic Mass	562.2778
Heavy Atoms	40
Complexity	1140.0

Chemical Identifiers

CAS Number	82345-32-2
SMILES	C[C@@H]1C[C@H]([C@]2([C@@H](O1)O[C@H]3C[C@]4([C@H](CC[C@@H]5[C@@H]4C(=O)[C@@H]([C@]6(C5(CC[C@@H]6C7=CC(=O)OC7)O)C)O)C[C@@H]3O2)C)O)OC
InChIKey	BRTUQPCQNQOTHY-MQCGWOFGSA-N