6752-85-8
Product Name:
2-[[(1R,4aβ,8aα)-Decahydro-5,5,8a-trimethyl-2-methylenenaphthalen-1α-yl]methyl]-3-hydroxy-5-hydroxymethyl-2,5-cyclohexadiene-1,4-dione
Formula:
C22H30O4
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 358.5 g/mol |
|---|---|
| XLogP3 | 4.4 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 358.21440943 g/mol |
| Monoisotopic Mass | 358.21440943 g/mol |
| Topological Polar Surface Area | 74.6 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 724 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 3 |
| 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
2-[[(1R,4aR,8aR)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methyl]-3-hydroxy-5-(hydroxymethyl)cyclohexa-2,5-diene-1,4-dione is a natural product found in Phyllosticta spinarum with data available.