Structure Database (LMSD)

Common Name
3-Gymnomitren-15-al
Systematic Name
Synonyms
LM ID
LMPR0103880002
Formula
C15H22O
Exact Mass
Calculate m/z
218.167065
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C15 isoprenoids (sesquiterpenes) [PR0103]
Gymnomitrane sesquiterpenoids [PR010388]

String Representations

InChiKey (Click to copy)
GVADVPQNXLRSBB-KBXIAJHMSA-N
InChi (Click to copy)
InChI=1S/C15H22O/c1-13-8-5-11(10-16)12(9-13)14(2)6-4-7-15(13,14)3/h5,10,12H,4,6-9H2,1-3H3/t12-,13-,14+,15+/m1/s1
SMILES (Click to copy)
C1C=C(C=O)[C@@H]2[C@]3(C)CCC[C@@]3(C)[C@@]1(C)C2

Other Databases

PubChem CID
42608206

Calculated Physicochemical Properties

Heavy Atoms 16
Rings 3
Aromatic Rings 0
Rotatable Bonds 1
Van der Waals Molecular Volume 234.49
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 3.74
Molar Refractivity 65.04

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Created at
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Updated at
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