Structure Database (LMSD)

Common Name
(-)-Jolkinol B
Systematic Name
Synonyms
LM ID
LMPR0104310004
Formula
C29H36O5
Exact Mass
Calculate m/z
464.256275
Status
Active
Show lipids differing only in stereochemistry/bond geometry

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)

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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