atomaric acid

3-[(1S,4aR,5S,6S,8aR)-5-[(2-hydroxy-5-methoxy-3-methylphenyl)methyl]-5,6,8a-trimethyl-2-propan-2-ylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]propanoic acid

Also Known As: atomaric acid|3-[(1s,4ar,5s,6s,8ar)-5-(2-hydroxy-5-methoxy-3-methylbenzyl)-5,6,8a-trimethyl-2-(propan-2-ylidene)decahydronaphthalen-1-yl]propanoic acid|3-[(1S,4aR,5S,6S,8aR)-5-[(2-hydroxy-5-methoxy-3-methylphenyl)methyl]-5,6,8a-trimethyl-2-propan-2-ylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]propanoic acid|(1S,4abeta)-2-Isopropylidene-5beta-(2-hydroxy-3-methyl-5-methoxybenzyl)-5,6beta,8aalpha-trimethyldecahydronaphthalene-1-propionic acid|(1S,4abeta)-Decahydro-5beta-[(2-hydroxy-5-methoxy-3-methylphenyl)methyl]-5,6beta,8aalpha-trimethyl-2-(1-methylethylidene)-1-naphthalenepropionic acid|1-Naphthalenepropanoic acid, decahydro-5-((2-hydroxy-5-methoxy-3-methylphenyl)methyl)-5,6,8a-trimethyl-2-(1-methylethylidene)-, (1S-(1alpha,4abeta,5beta,6beta,8aalpha))-|3-[(1S,4aR,5S,6S,8aR)-5-[(2-hydroxy-5-methoxy-3-methylphenyl)methyl]-5,6,8a-trimethyl-2-(propan-2-ylidene)-decahydronaphthalen-1-yl]propanoic acid|3-[(1S,4aR,5S,6S,8aR)-5-[(2-Hydroxy-5-methoxy-3-methylphenyl)methyl]-5,6,8a-trimethyl-2-(propan-2-ylidene)decahydronaphthalen-1-yl]propanoic acid|3-{5-[(2-Hydroxy-5-methoxy-3-methylphenyl)methyl]-5,6,8a-trimethyl-2-(propan-2-ylidene)decahydronaphthalen-1-yl}propanoic acid

Molecular Formula	C28H42O4
Molecular Weight	442.30832 g/mol
LogP	7.2
Topological Polar Surface Area	66.8 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	4
Rotatable Bonds	6
Exact Mass	442.30832
Monoisotopic Mass	442.30832
Heavy Atoms	32
Complexity	710.0

Chemical Identifiers

CAS Number	6342-48-9
SMILES	C[C@H]1CC[C@@]2([C@@H]([C@@]1(C)CC3=C(C(=CC(=C3)OC)C)O)CCC(=C(C)C)[C@H]2CCC(=O)O)C
InChIKey	OZFVNSYPXRUABC-ABYCQCASSA-N