Structure Database (LMSD)

Common Name
5,10-Epoxy-muurolane
Systematic Name
Synonyms
LM ID
LMPR0103830001
Formula
C15H24O
Exact Mass
Calculate m/z
220.182715
Status
Active
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]
Copaane sesquiterpenoids [PR010383]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Gorgonia ventalina (#204384)
Anthozoa (#6101)
Natural sesquiterpenoids.,
Nat Prod Rep, 2001
Pubmed ID: 11820763

String Representations

InChiKey (Click to copy)
OAXPUWUDEOULDN-BHPKHCPMSA-N
InChi (Click to copy)
InChI=1S/C15H24O/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(16-15)13(11)12/h9,11-13H,5-8H2,1-4H3/t11-,12-,13-,15+/m1/s1
SMILES (Click to copy)
C1C[C@]2([H])[C@@]3([H])[C@@H](C(C)C)CC[C@@]2(OC3=C1C)C

Other Databases

CHEBI ID
195997
PubChem CID
42608200

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 11.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 4.43
Molar Refractivity 66.48

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Created at
-
Updated at
23rd Jul 2021