65745-48-4
Product Name:
(2S,4S)-2,4-Dimethylhexanoic acid [(7R)-3-[(E)-2-carboxyethenyl]-7,8-dihydro-7-methyl-6,8-dioxo-6H-2-benzopyran-7-yl] ester
Formula:
C21H24O7
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COMPUTED DESCRIPTORS
| Molecular Weight | 388.4 g/mol |
|---|---|
| XLogP3 | 3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 8 |
| Exact Mass | 388.15220310 g/mol |
| Monoisotopic Mass | 388.15220310 g/mol |
| Topological Polar Surface Area | 107 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 828 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 3 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Lunatoic acid A is a natural product found in Curvularia lunata with data available.