Structure Database (LMSD)

Common Name
(-)-Jolkinol A
Systematic Name
Synonyms
LM ID
LMPR0104310003
Status
Active
Exact Mass
Calculate m/z
480.25119
Formula
C29H36O6
Show lipids differing only in stereochemistry/bond geometry
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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)
ZLHWPIKKGZWBKR-WRBFAYPNSA-N
InChi (Click to copy)
InChI=1S/C29H36O6/c1-17-15-29(34-22(31)11-10-18-8-6-5-7-9-18)23(24(17)32)26-28(4,35-26)13-12-20-21(27(20,2)3)14-19(16-30)25(29)33/h5-11,14,17,20-21,23-24,26,30,32H,12-13,15-16H2,1-4H3/b11-10+,19-14-/t17-,20-,21+,23?,24-,26+,28+,29+/m0/s1
SMILES (Click to copy)

References

Other Databases

PubChem CID
42608246

Calculated Physicochemical Properties

Heavy Atoms 35
Rings 5
Aromatic Rings 1
Rotatable Bonds 5
Van der Waals Molecular Volume 471.82
Topological Polar Surface Area 96.36
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 6
logP 5.14
Molar Refractivity 133.56

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Updated at
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