Structure Database (LMSD)
Common Name
Glisoprenin C
Systematic Name
3,7,11,15,19,23,27,31,35-Nonamethyl-6,7-epoxy-hexatriaconta-2E,10E,14E-triene-1,19,23,27,31,34,35-heptol
Synonyms
- (22E,26E)-29-[3-[(E)-5-hydroxy-3-methylpent-3-enyl]-2-methyloxiran-2-yl]-2,6,10,14,18,22,26-heptamethylnonacosa-22,26-diene-2,3,6,10,14,18-hexol
3D model of Glisoprenin C
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)
RLGZBWXMGCBJNG-FHAYICFZSA-N
InChi (Click to copy)
InChI=1S/C45H84O8/c1-35(17-11-18-36(2)20-13-32-45(10)39(53-45)22-21-37(3)24-34-46)19-12-25-41(6,49)26-14-27-42(7,50)28-15-29-43(8,51)30-16-31-44(9,52)33-23-38(47)40(4,5)48/h17,20,24,38-39,46-52H,11-16,18-19,21-23,25-34H2,1-10H3/b35-17+,36-20+,37-24+
SMILES (Click to copy)
C(/C=C(\C)/CCC1OC1(C)CC/C=C(\C)/CC/C=C(\C)/CCCC(O)(C)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCC(O)C(O)(C)C)O
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
53
Rings
1
Aromatic Rings
Rotatable Bonds
30
Van der Waals Molecular Volume
837.10
Topological Polar Surface Area
154.14
Hydrogen Bond Donors
7
Hydrogen Bond Acceptors
8
logP
11.49
Molar Refractivity
223.36
Admin
Created at
6th Mar 2024
Updated at
6th Mar 2024