pimaric acid

pimaric acid

CAS: 127-27-5

Formula: C20H30O2

SMILES: [H][C@]12CC[C@@](C)(C=C)C=C1CC[C@@]1([H])[C@@](C)(CCC[C@]21C)C(O)=O

IUPAC: (1R,4aR,4bS,7S,10aR)-7-ethenyl-1,4a,7-trimethyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthrene-1-carboxylic acid

InChI: InChI=1S/C20H30O2/c1-5-18(2)12-9-15-14(13-18)7-8-16-19(15,3)10-6-11-20(16,4)17(21)22/h5,13,15-16H,1,6-12H2,2-4H3,(H,21,22)/t15-,16+,18+,19+,20+/m1/s1

Composition: C (79.42%), H (10.00%), O (10.58%)

Molar Mass: 302.458

Atom Count: 52

Heavy Atom Count: 22

Properties

Properties

Common Names	pimaric acid
Aromatic Ring Count	0
Asymmetric Atom Count	5
Exact Mass	302.224580206
Formal Charge	0
FSP3	0.75
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	MHVJRKBZMUDEEV-APQLOABGSA-N
Lipinski's Rule of Five
Molar Refractivity	90.33
Topological Polar Surface Area	37.3
Polarizability	35.41
Ring Count	3
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
99.83%	<7 Days	127-27-5		$215.05-$645.15$215.05$645.15