Structure Database (LMSD)

Common Name
(-)-Jolkinol B
Systematic Name
Synonyms
LM ID
LMPR0104310004
Status
Active
Exact Mass
Calculate m/z
464.256275
Formula
C29H36O5
Show lipids differing only in stereochemistry/bond geometry
Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C20 isoprenoids (diterpenes) [PR0104]
Lathyrane diterpenoids [PR010431]

String Representations

InChiKey (Click to copy)
OMBNGHNNZSKBRK-QOYUJADGSA-N
InChi (Click to copy)
InChI=1S/C29H36O5/c1-17-15-21-20(27(21,3)4)13-14-28(5)26(34-28)23-24(31)18(2)16-29(23,25(17)32)33-22(30)12-11-19-9-7-6-8-10-19/h6-12,15,18,20-21,23-24,26,31H,13-14,16H2,1-5H3/b12-11+,17-15-/t18-,20-,21+,23?,24-,26+,28+,29+/m0/s1
SMILES (Click to copy)

References

Other Databases

PubChem CID
42608247

Calculated Physicochemical Properties

Heavy Atoms 34
Rings 5
Aromatic Rings 1
Rotatable Bonds 4
Van der Waals Molecular Volume 463.03
Topological Polar Surface Area 76.13
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 5
logP 5.88
Molar Refractivity 131.66

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Updated at
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