117458-36-3
Product Name:
Benzoic acid, 3-chloro-4,6-dihydroxy-2-methyl-, (2R,2aS,4aR,7R,7aS,7bR)-3-formyl-2,2a,4a,5,6,7,7a,7b-octahydro-2a,4a,7-trihydroxy-6,6,7b-trimethyl-1H-cyclobut[e]inden-2-yl ester
Formula:
C23H27ClO8
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 466.9 g/mol |
|---|---|
| XLogP3 | 2.7 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 4 |
| Exact Mass | 466.1394455 g/mol |
| Monoisotopic Mass | 466.1394455 g/mol |
| Topological Polar Surface Area | 145 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 859 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 6 |
| 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
Melledonal B is a benzoate ester and a sesquiterpenoid.