Structure Database (LMSD)

Common Name
1beta,10beta-Epoxy-nardosinane
Systematic Name
Synonyms
LM ID
LMPR0103280002
Formula
C15H24O
Exact Mass
Calculate m/z
220.182715
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]
Nardosinane sesquiterpenoids [PR010328]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Gackstroemia (#255965)
Jungermanniopsida (#186771)
Natural sesquiterpenoids.,
Nat Prod Rep, 2001
Pubmed ID: 11820763

String Representations

InChiKey (Click to copy)
LLQBOMCVABNZDR-XLWJZTARSA-N
InChi (Click to copy)
InChI=1S/C15H24O/c1-10(2)12-6-5-9-15-13(16-15)8-7-11(3)14(12,15)4/h11-13H,1,5-9H2,2-4H3/t11-,12+,13-,14-,15-/m1/s1
SMILES (Click to copy)
C1[C@H]2O[C@@]32CCC[C@@H](C(=C)C)[C@@]3(C)[C@H](C)C1

Other Databases

CHEBI ID
195991
PubChem CID
42608149

Calculated Physicochemical Properties

Heavy Atoms 16
Rings 3
Aromatic Rings 0
Rotatable Bonds 1
Van der Waals Molecular Volume 237.13
Topological Polar Surface Area 12.53
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 4.51
Molar Refractivity 67.29

Admin

Created at
-
Updated at
23rd Jul 2021