67244-39-7
Product Name:
(1R,4aβ)-8aα-Acetoxymethyl-5β-[2-(3-furyl)ethyl]-2,3,4a,5,6,7,8,8a-octahydro-8β-hydroxy-5,6α-dimethylspiro[naphthalene-1(4H),2'-oxiran]-4-one
Formula:
C22H30O6
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 390.5 g/mol |
|---|---|
| XLogP3 | 2.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 6 |
| Exact Mass | 390.20423867 g/mol |
| Monoisotopic Mass | 390.20423867 g/mol |
| Topological Polar Surface Area | 89.3 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 649 |
| 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
Isofruticolone is a natural product found in Teucrium fruticans with data available.