3,13-dihydroxy-5,9-dimethyl-14-methylidene-15-oxotetracyclo[11.2.1.0¹,¹?.0?,?]hexadec-10-ene-5-carboxylic acid

3,13-dihydroxy-5,9-dimethyl-14-methylidene-15-oxotetracyclo[11.2.1.0¹,¹?.0?,?]hexadec-10-ene-5-carboxylic acid

CAS: 1401419-85-9

Formula: C20H26O5

SMILES: CC1(CCCC2(C)C1C(O)CC13CC(O)(CC=C21)C(=C)C3=O)C(O)=O

IUPAC: 3,13-dihydroxy-5,9-dimethyl-14-methylidene-15-oxotetracyclo[11.2.1.0¹,¹?.0?,?]hexadec-10-ene-5-carboxylic acid

InChI: InChI=1/C20H26O5/c1-11-15(22)19-9-12(21)14-17(2,6-4-7-18(14,3)16(23)24)13(19)5-8-20(11,25)10-19/h5,12,14,21,25H,1,4,6-10H2,2-3H3,(H,23,24)

Composition: C (69.34%), H (7.57%), O (23.09%)

Molar Mass: 346.423

Atom Count: 51

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	6
Exact Mass	346.178023937
Formal Charge	0
FSP3	0.7
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
InChIKey	QHDAFFWLZDOSSY-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	92.08
Topological Polar Surface Area	94.83
Polarizability	36.03
Ring Count	4
Rotatable Bond Count	1

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98%	<6 Days	1401419-85-9		$1,017.75-$5,957.00$1,017.75$1,687.05$3,515.55$5,957.00$10,272.95