Structure Database (LMSD)
Common Name
Aztequynol B
Systematic Name
29R-hydroxy-18-methylhentriacont-4-en-2,30-diynoic acid
Synonyms
3D model of Aztequynol B
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
MYMNWIAYDLJMQH-OKBGSMQMSA-N
InChi (Click to copy)
InChI=1S/C32H54O3/c1-3-31(33)28-24-20-16-13-12-15-19-23-27-30(2)26-22-18-14-10-8-6-4-5-7-9-11-17-21-25-29-32(34)35/h1,17,21,30-31,33H,4-16,18-20,22-24,26-28H2,2H3,(H,34,35)/b21-17-/t30?,31-/m0/s1
SMILES (Click to copy)
C(C#C/C=C\CCCCCCCCCCCCC(C)CCCCCCCCCC[C@@H](O)C#C)(=O)O
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
unclassified Petrosia
(#2627599)
Demospongiae
(#6042)
Aztequynol A, the first clearly defined, C-branched polyacetylene and the analogue Aztequynol B. Isolation from the tropical marine sponge Petrosia sp.,
Tetrahedron Letts, 1998
Tetrahedron Letts, 1998
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
35
Rings
Aromatic Rings
Rotatable Bonds
24
Van der Waals Molecular Volume
572.69
Topological Polar Surface Area
57.53
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
logP
9.13
Molar Refractivity
150.64
Admin
Created at
6th Jul 2021
Updated at
6th Jul 2021