Structure Database (LMSD)
Common Name
Glisoprenin D
Systematic Name
3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2E,6E,10E,14E-tetraene-1,19,23,27,31,34,35-heptol
Synonyms
3D model of Glisoprenin D
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
Taxonomy Information
String Representations
InChiKey (Click to copy)
NWNDDBQOCUDCDV-QYOQUFJESA-N
InChi (Click to copy)
InChI=1S/C45H84O7/c1-36(18-11-19-37(2)21-13-23-39(4)26-35-46)20-12-22-38(3)24-14-27-42(7,49)28-15-29-43(8,50)30-16-31-44(9,51)32-17-33-45(10,52)34-25-40(47)41(5,6)48/h18,21-22,26,40,46-52H,11-17,19-20,23-25,27-35H2,1-10H3/b36-18+,37-21+,38-22+,39-26+
SMILES (Click to copy)
C(/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCCC(O)(C)CCCC(C)(O)CCCC(C)(O)CCCC(O)(CCC(O)C(O)(C)C)C)O
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
52
Rings
Aromatic Rings
Rotatable Bonds
30
Van der Waals Molecular Volume
838.03
Topological Polar Surface Area
141.61
Hydrogen Bond Donors
7
Hydrogen Bond Acceptors
7
logP
11.70
Molar Refractivity
222.82
Admin
Created at
6th Mar 2024
Updated at
6th Mar 2024