ilimaquinone

3-[[(1R,2S,4aS,8aS)-1,2,4a-trimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl]-2-hydroxy-5-methoxycyclohexa-2,5-diene-1,4-dione

CAS: 71678-03-0

Molecular Formula	`C22H30O4`
Molecular Weight	358.5 g/mol
LogP	5.1
Topological Polar Surface Area	63.6 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	3
Exact Mass	358.21442
Heavy Atoms	26
Complexity	728.0

Chemical Identifiers

CAS Number	71678-03-0
SMILES	`CC1CCC2(C(C1(C)CC3=C(C(=O)C=C(C3=O)OC)O)CCCC2=C)C`
InChIKey	`JJWITJNSXCXULM-YVUMSICPSA-N`

📖 Product Overview

ilimaquinone (CAS: 71678-03-0) is a chemical compound with molecular formula C22H30O4 and molecular weight 358.5 g/mol. Its IUPAC systematic name is 3-[[(1R,2S,4aS,8aS)-1,2,4a-trimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl]-2-hydroxy-5-methoxycyclohexa-2,5-diene-1,4-dione. LogP 5.1 Topological Polar Surface Area 63.6 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 4 Rotatable Bonds 3 Exact Mass 358.21442 Heavy Atoms 26 Complexity 728.0 InChI Key: JJWITJNSXCXULM-YVUMSICPSA-N. SMILES: CC1CCC2(C(C1(C)CC3=C(C(=O)C=C(C3=O)OC)O)CCCC2=C)C.

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