Structure Database (LMSD)

Common Name
Glisoprenin F
Systematic Name
3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2E,6E,10E-triene-1,15,19,23,27,31,34,35-octol
Synonyms
LM ID
LMPR01080064
Formula
C45H86O8
Exact Mass
Calculate m/z
754.63227
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Prenol Lipids [PR]
Isoprenoids [PR01]
Polyterpenes [PR0108]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Clonostachys rosea f. catenulata (#62888)
Sordariomycetes (#147550)
New verticillin and glisoprenin analogues from gliocladium catenulatum, a mycoparasite of aspergillus flavus sclerotia,
J Nat Prod, 1999
Pubmed ID: 10346956

String Representations

InChiKey (Click to copy)
OTYYBSNNSCTJCO-WXNAAJQBSA-N
InChi (Click to copy)
InChI=1S/C45H86O8/c1-36(19-12-21-38(3)24-35-46)18-11-20-37(2)22-13-25-41(6,49)26-14-27-42(7,50)28-15-29-43(8,51)30-16-31-44(9,52)32-17-33-45(10,53)34-23-39(47)40(4,5)48/h19-20,24,39,46-53H,11-18,21-23,25-35H2,1-10H3/b36-19+,37-20+,38-24+
SMILES (Click to copy)
C(/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCCC(O)(C)CCCC(O)(C)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCC(O)C(O)(C)C)O

Other Databases

PubChem CID
10580943

Calculated Physicochemical Properties

Heavy Atoms 53
Rings
Aromatic Rings
Rotatable Bonds 31
Van der Waals Molecular Volume 849.46
Topological Polar Surface Area 161.84
Hydrogen Bond Donors 8
Hydrogen Bond Acceptors 8
logP 11.19
Molar Refractivity 224.81

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Created at
6th Mar 2024
Updated at
6th Mar 2024