carnosol

carnosol

CAS: 5957-80-2

Formula: C20H26O4

SMILES: [H][C@@]12C[C@@]3([H])C(C)(C)CCC[C@]3(C(=O)O1)C1=C2C=C(C(C)C)C(O)=C1O

IUPAC: (1R,8S,10S)-3,4-dihydroxy-11,11-dimethyl-5-(propan-2-yl)-16-oxatetracyclo[6.6.2.0¹,¹⁰.0²,⁷]hexadeca-2(7),3,5-trien-15-one

InChI: InChI=1S/C20H26O4/c1-10(2)11-8-12-13-9-14-19(3,4)6-5-7-20(14,18(23)24-13)15(12)17(22)16(11)21/h8,10,13-14,21-22H,5-7,9H2,1-4H3/t13-,14+,20-/m1/s1

Composition: C (72.70%), H (7.93%), O (19.37%)

Molar Mass: 330.424

Atom Count: 50

Heavy Atom Count: 24

Properties

Properties

Common Names	carnosol
Aromatic Ring Count	1
Asymmetric Atom Count	3
Exact Mass	330.183109317
Formal Charge	0
FSP3	0.65
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	XUSYGBPHQBWGAD-PJSUUKDQSA-N
Lipinski's Rule of Five	1
Molar Refractivity	91.43
Topological Polar Surface Area	66.76
Polarizability	35.81
Ring Count	4
Rotatable Bond Count	1

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Purity	LeadTime	CAS	PacketSize	UnitPrice
99.9%	<7 Days	5957-80-2		$46.75-$130.90$46.75$65.45$130.90