42895-58-9
Product Name:
14-DEOXY-11,12-DIDEHYDROANDROGRAPHOLIDE
Formula:
C20H28O4
Synonyms:
ent-(3β,11E)-3,19-Dihydroxy-8(17),11,13-labdatrien-16,15-olide;3-[(1E)-2-[(1R,4aS,5R,6R,8aR)-Decahydro-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl]ethenyl]- 2(5H)-furanone
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COMPUTED DESCRIPTORS
| Molecular Weight | 332.4 g/mol |
|---|---|
| XLogP3 | 3.2 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 332.19875937 g/mol |
| Monoisotopic Mass | 332.19875937 g/mol |
| Topological Polar Surface Area | 66.8 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 605 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 5 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
14-Deoxy-11,12-didehydroandrographolide is a diterpene lactone. It has a role as a metabolite.