Levopimaric Acid 2-Amino-2-methyl-1-propanol - CAS 6980-90-1

Catalog:	BB060462
Product Name:	Levopimaric Acid 2-Amino-2-methyl-1-propanol
CAS:	6980-90-1
Synonyms:	2-Amino-2-methyl-1-propanol 13-Isopropylpodocarpa-8(14),12-dien-15-oate (Salt); NSC 4828

Technical Data

IUPAC Name:	1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,9,10,10a-octahydrophenanthrene-1-carboxylic acid2-amino-2-methylpropan-1-ol
Description:	Levopimaric Acid 2-Amino-2-methyl-1-propanol is an intermediate used in the synthesis of Levopimaric Acid (L375910), which is a major component of pine oleoresin. It is an abietane-type of diterpene resin acid and has antibacterial, cardiovascular, and antioxidant properties.
Molecular Weight:	302.45 + 89.14
Molecular Formula:	C20H30O2·C4H11NO
Canonical SMILES:	CC(C)C1=CCC2C(=C1)CCC3C2(CCCC3(C)C(=O)O)C.CC(C)(CO)N
InChI:	InChI=1S/C20H30O2.C4H11NO/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)221-4(2,5)3-6/h6,12-13,16-17H,5,7-11H2,1-4H3,(H,21,22)6H,3,5H2,1-2H3
InChI Key:	FYKCISRKXFIEQD-UHFFFAOYSA-N
Solubility:	DMSO
Appearance:	Off-white Solid
References:	Kersten, P. J., et al. J. Chem. Ecol., 32(12), 2679-85 (2006).

Complexity:	585
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	391.30864417
Formal Charge:	0
Heavy Atom Count:	28
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	391.30864417
Rotatable Bond Count:	3
Topological Polar Surface Area:	83.6Å²
Undefined Atom Stereocenter Count:	4
Undefined Bond Stereocenter Count:	0