Structure Database (LMSD)

Common Name
Dictyolene
Systematic Name
1,3,14-prenyleudesama-trien-6β-ol
Synonyms
LM ID
LMPR0104450003
Formula
C20H32O
Exact Mass
Calculate m/z
288.245315
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]
Prenyleudesmane, prenylgermacrane and prenylbicyclogermacrane diterpenoids [PR010445]

String Representations

InChiKey (Click to copy)
YUHUOUBGCGOZNO-AEEMCCEDSA-N
InChi (Click to copy)
InChI=1S/C20H32O/c1-14(2)8-6-9-15(3)17-11-13-20(5)12-7-10-16(4)18(20)19(17)21/h7-8,10,12,15,17-19,21H,6,9,11,13H2,1-5H3/t15-,17-,18-,19+,20+/m0/s1
SMILES (Click to copy)
C1=C[C@@]2(C)[C@]([H])([C@H](O)[C@]([H])([C@@H](C)CC/C=C(\C)/C)CC2)C(C)=C1

Other Databases

PubChem CID
42608261

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 2
Aromatic Rings 0
Rotatable Bonds 4
Van der Waals Molecular Volume 330.71
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 5.56
Molar Refractivity 91.57

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Updated at
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