32483-54-8
Product Name:
4aα,6α-Dihydroxy-1β-methyl-8-methylenegibba-2-ene-1α,10β-dicarboxylic acid 1,4a-lactone
Formula:
C19H22O5
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 330.4 g/mol |
|---|---|
| XLogP3 | 1.3 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 1 |
| Exact Mass | 330.14672380 g/mol |
| Monoisotopic Mass | 330.14672380 g/mol |
| Topological Polar Surface Area | 83.8 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 725 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 8 |
| 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
(1R,2R,4S,5R,8R,9S,10R,11R)-4-hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-12-ene-9-carboxylic acid is a natural product found in Ipomoea alba with data available.