Structure Database (LMSD)
Common Name
Alfredensinol C
Systematic Name
Synonyms
3D model of Alfredensinol C
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Laurencia alfredensis
(#1982689)
Florideophyceae
(#2806)
Isolation, Characterization and Antiproliferative Activity of New Metabolites from the South African Endemic Red Algal Species Laurencia alfredensis.,
Molecules, 2017
Molecules, 2017
Pubmed ID:
28333106
String Representations
InChiKey (Click to copy)
YRZUSVWWYOBXCR-SNBIQRQSSA-N
InChi (Click to copy)
InChI=1S/C30H50O6/c1-19(2)21-13-17-29(7,35-21)26-15-18-30(8)25(34-26)12-10-22(36-30)20(3)9-11-24-28(6,32)16-14-23(33-24)27(4,5)31/h9,21-26,31-32H,1,10-18H2,2-8H3/b20-9+/t21-,22+,23+,24+,25+,26+,28-,29-,30-/m0/s1
SMILES (Click to copy)
[C@@]1(O[C@]([H])(C(=C)C)CC1)(C)[C@]1([H])O[C@]2([H])CC[C@@](/C(/C)=C/C[C@]3([H])[C@@](C)(O)CC[C@]([H])(C(O)(C)C)O3)([H])O[C@@]2(C)CC1
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
36
Rings
4
Aromatic Rings
Rotatable Bonds
6
Van der Waals Molecular Volume
525.58
Topological Polar Surface Area
85.66
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
6
logP
8.26
Molar Refractivity
146.04
Admin
Created at
11th Jan 2024
Updated at
11th Jan 2024