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145400-03-9

145400-03-9 structural image
Product Name: Homalomel A
Formula: C15H26O2
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COMPUTED DESCRIPTORS

Molecular Weight 238.37 g/mol
XLogP3 3
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 1
Exact Mass 238.193280068 g/mol
Monoisotopic Mass 238.193280068 g/mol
Topological Polar Surface Area 40.5 Ų
Heavy Atom Count 17
Formal Charge 0
Complexity 332
Isotope Atom Count 0
Defined Atom Stereocenter Count 5
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

(+)-homalomenol A is a sesquiterpenoid that is perhydroindane which is substituted by a (2-methylprop-1-en-1-yl) group at position 1, methyl groups at positions 3a and 7, and hydroxy groups at positions 4 and 7 (the 1R,3aR,4R,7S,7aR stereoisomer). It has a role as a plant metabolite. It is a carbobicyclic compound, a sesquiterpenoid, a diol, a tertiary alcohol, a secondary alcohol and an olefinic compound.