23365-02-8
Product Name:
2β,3β,4aα-Trihydroxy-1β-methyl-8-methylene-6-oxogibbane-1α,10β-dicarboxylic acid 1,4a-lactone
Formula:
C19H22O7
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 362.4 g/mol |
|---|---|
| XLogP3 | -0.8 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 1 |
| Exact Mass | 362.13655304 g/mol |
| Monoisotopic Mass | 362.13655304 g/mol |
| Topological Polar Surface Area | 121 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 789 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 9 |
| 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,5R,8R,9S,10R,11S,12R,13S)-12,13-dihydroxy-11-methyl-6-methylidene-4,16-dioxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid is a natural product found in Ipomoea purpurea with data available.