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116271-39-7 | 1-Tritriacontanol, 32-methyl-
CAS No: 116271-39-7 Catalog No: AG000C3N MDL No:
Product Description
Catalog Number:
AG000C3N
Chemical Name:
1-Tritriacontanol, 32-methyl-
CAS Number:
116271-39-7
Molecular Formula:
C34H70O
Molecular Weight:
494.9190
IUPAC Name:
32-methyltritriacontan-1-ol
InChI:
InChI=1S/C34H70O/c1-34(2)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35/h34-35H,3-33H2,1-2H3
InChI Key:
BPCHXYGABPPTGH-UHFFFAOYSA-N
SMILES:
OCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(C)C
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
494.543g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
494.933g/mol
Monoisotopic Mass:
494.543g/mol
Rotatable Bond Count:
31
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
16.8
Literature
| Title | Journal |
|---|---|
| Melastoma malabathricum (L.) Smith Ethnomedicinal Uses, Chemical Constituents, and Pharmacological Properties: A Review. | Evidence-based complementary and alternative medicine : eCAM 20120101 |
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