Dehydrotumulosic acid

(2R)-2-[(3S,10S,13R,14R,16R,17R)-3,16-dihydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methyl-5-methylideneheptanoic acid

Also Known As: Dehydrotumulosic acid|KST-1A8217|8099AH|(2R)-2-[(3S,10S,13R,14R,16R,17R)-3,16-dihydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methyl-5-methylideneheptanoic acid|(3|A,5xi,16|A)-3,16-dihydroxy-24-methylidenelanosta-7,9(11)-dien-21-oic acid|3,16-Dihydroxy-24-methylidenelanosta-7,9(11)-dien-21-oic acid|(3beta,5xi,16alpha)-3,16-dihydroxy-24-methylidenelanosta-7,9(11)-dien-21-oic acid|(5xi)-3beta,16alpha-Dihydroxy-24-methylidenelanosta-7,9(11)-dien-21-oic acid|Lanosta-7,9(11)-dien-21-oic acid, 3,16-dihydroxy-24-methylene-, (3beta,16alpha)-|(2R)-2-[(1R,2R,3AR,7S,9AS,11AR)-2,7-DIHYDROXY-3A,6,6,9A,11A-PENTAMETHYL-1H,2H,3H,5H,5AH,7H,8H,9H,11H-CYCLOPENTA[A]PHENANTHREN-1-YL]-6-METHYL-5-METHYLIDENEHEPTANOIC ACID

Molecular Formula	C31H48O4
Molecular Weight	484.35526 g/mol
LogP	6.4
Topological Polar Surface Area	77.8 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	4
Rotatable Bonds	6
Exact Mass	484.35526
Monoisotopic Mass	484.35526
Heavy Atoms	35
Complexity	957.0

Chemical Identifiers

CAS Number	78232-99-2
SMILES	CC(C)C(=C)CC[C@H]([C@H]1[C@@H](C[C@@]2([C@@]1(CC=C3C2=CCC4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C)O)C(=O)O
InChIKey	LADJWZMBZBVBSB-DWSVKRSBSA-N