Structure Database (LMSD)

Common Name
17,18-Epoxy-8,10,13(15)-lobatriene
Systematic Name
Synonyms
LM ID
LMPR0104460001
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]
Lobane diterpenoids [PR010446]

String Representations

InChiKey (Click to copy)
PLMPUHCOGGTVIR-JZXJGBJOSA-N
InChi (Click to copy)
InChI=1S/C20H32O/c1-8-20(7)12-11-16(13-17(20)14(2)3)15(4)9-10-18-19(5,6)21-18/h8-9,16-18H,1-2,10-13H2,3-7H3/b15-9+/t16-,17+,18+,20-/m0/s1
SMILES (Click to copy)
C=C[C@@]1(C)CC[C@]([H])(/C(/C)=C/C[C@H]2OC2(C)C)C[C@@H]1C(C)=C

Other Databases

PubChem CID
42608262

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 2
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 330.71
Topological Polar Surface Area 12.53
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 6.26
Molar Refractivity 92.30

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Created at
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Updated at
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