25-Methyl-21-tritriacontene-1,9,11-triol
PubChem CID: 86172612
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| Compound Synonyms | 25-methyl-21-tritriacontene-1,9,11-triol, DTXSID601273747, 151454-19-2 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 60.7 |
| Hydrogen Bond Donor Count | 3.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Fatty alcohols |
| Deep Smiles | CCCCCCCCCCCC=CCCCCCCCCCCCCCCCCCCCCO)))))))))O)))O)))))))))))))))C |
| Heavy Atom Count | 37.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty alcohols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 450.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 25-methyltritriacont-21-ene-1,9,11-triol |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 12.6 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C34H68O3 |
| Inchi Key | BOYBJOZTRHQFNM-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 30.0 |
| Synonyms | 25-methyl tritriacont-21-en-1,9,11-triol |
| Esol Class | Poorly soluble |
| Functional Groups | CC=CC, CO |
| Compound Name | 25-Methyl-21-tritriacontene-1,9,11-triol |
| Exact Mass | 524.517 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 524.517 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 524.9 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 1.0 |
| Lipinski Rule Of 5 | False |
| Inchi | InChI=1S/C34H68O3/c1-3-4-5-6-16-21-26-32(2)27-22-17-12-10-8-7-9-11-13-18-23-28-33(36)31-34(37)29-24-19-14-15-20-25-30-35/h12,17,32-37H,3-11,13-16,18-31H2,1-2H3 |
| Smiles | CCCCCCCCC(C)CCC=CCCCCCCCCCC(CC(CCCCCCCCO)O)O |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Colocasia Esculenta (Plant) Rel Props:Reference:ISBN:9788172362133