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.