Obacunone
(1R,2R,4S,7S,8S,11R,12R,18R)-7-(furan-3-yl)-1,8,12,17,17-pentamethyl-3,6,16-trioxapentacyclo[9.9.0.02,4.02,8.012,18]icos-13-ene-5,15,20-trione
Also Known As: Obacunone|OBACUNON|Casimirolide|Obakunone|Tricoccin S3|eta-lactone|Tricoccin S3;|Obacunone (Standard)|OBACUNOIC ACID|Obacunoic acid, eta-lactone|Obacunoic acid epsilon-lactone|HY-N0428R|AI3-37934|KST-1A8251|OBACUNONE (REFERENCE GRADE)|EX-A4868|HY-N0428|NP6982|s3784|NCGC00247493-01
| Molecular Formula | C26H30O7 |
|---|---|
| Molecular Weight | 454.19916 g/mol |
| LogP | 3.92 |
| Topological Polar Surface Area | 95.34 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 454.19916 |
| Heavy Atoms | 33 |
| Complexity | 1101.9 |
Chemical Identifiers
| CAS Number | 751-03-1 |
|---|---|
| SMILES | C[C@@]12CC[C@@H]3[C@]4(C=CC(=O)OC([C@@H]4CC(=O)[C@]3([C@@]15[C@H](O5)C(=O)O[C@H]2C6=COC=C6)C)(C)C)C |
Product Overview
Obacunone (CAS 751-03-1), with molecular formula C26H30O7 and molecular weight 454.19916 g/mol. IUPAC: (1R,2R,4S,7S,8S,11R,12R,18R)-7-(furan-3-yl)-1,8,12,17,17-pentamethyl-3,6,16-trioxapentacyclo[9.9.0.02,4.02,8.012,18]icos-13-ene-5,15,20-trione.
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