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31661-06-0

31661-06-0 structural image
Product Name: b,b-Carotene-3,3'-diol, 5,8-epoxy-5,8-dihydro-,(3S,3'R,5R)-
Formula: C40H56O3
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COMPUTED DESCRIPTORS

Molecular Weight 584.9 g/mol
XLogP3 10
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 9
Exact Mass 584.42294564 g/mol
Monoisotopic Mass 584.42294564 g/mol
Topological Polar Surface Area 49.7 Ų
Heavy Atom Count 43
Formal Charge 0
Complexity 1330
Isotope Atom Count 0
Defined Atom Stereocenter Count 3
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 8
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

(6S,7Ar)-2-[(2E,4E,6E,8E,10E,12E,14E,16E)-17-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-6,11,15-trimethylheptadeca-2,4,6,8,10,12,14,16-octaen-2-yl]-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-6-ol is a natural product found in Azolla cristata, Equisetum palustre, and other organisms with data available.