37921-38-3
Product Name:
Cimifugin
Formula:
C16H18O6
Synonyms:
(S)-7-(Hydroxymethyl)-2-(2-hydroxypropan-2-yl)-4-methoxy-2,3-dihydro-5H-furo[3,2-g]chromen-5-one;2,3-Dihydro-4-methoxy-7-(hydroxymethyl)-2-(1-hydroxy-1-methylethyl)-5H-furo[3,2-g][1]benzopyran-5-one;Cimitin
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COMPUTED DESCRIPTORS
| Molecular Weight | 306.31 g/mol |
|---|---|
| XLogP3 | 0.6 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 306.11033829 g/mol |
| Monoisotopic Mass | 306.11033829 g/mol |
| Topological Polar Surface Area | 85.2 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 485 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| 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
Cimifugin is an oxacycle and an organic heterotricyclic compound.