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72963-77-0

72963-77-0 structural image
Product Name: 1-DEOXYFORSKOLIN
Formula: C22H34O6
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COMPUTED DESCRIPTORS

Molecular Weight 394.5 g/mol
XLogP3 2.3
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 3
Exact Mass 394.23553880 g/mol
Monoisotopic Mass 394.23553880 g/mol
Topological Polar Surface Area 93.1 Ų
Heavy Atom Count 28
Formal Charge 0
Complexity 716
Isotope Atom Count 0
Defined Atom Stereocenter Count 7
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

[(3R,4aR,5S,6S,6aS,10aS,10bS)-3-ethenyl-6,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-5-yl] acetate is a natural product found in Plectranthus barbatus with data available.