Structure Database (LMSD)

Common Name
(-)-1(10),11-Eremophiladien-9beta-ol
Systematic Name
Synonyms
LM ID
LMPR0103250001
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
Prenol Lipids [PR]
Isoprenoids [PR01]
C15 isoprenoids (sesquiterpenes) [PR0103]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Marchantia polymorpha (#3197)
Marchantiopsida (#186770)
Natural sesquiterpenoids,
Nat Prod Rep, 1999

String Representations

InChiKey (Click to copy)
DPDBSHAVHRQWMU-MYZSUADSSA-N
InChi (Click to copy)
InChI=1S/C15H24O/c1-10(2)12-8-14(16)13-7-5-6-11(3)15(13,4)9-12/h7,11-12,14,16H,1,5-6,8-9H2,2-4H3/t11-,12+,14-,15+/m0/s1
SMILES (Click to copy)
C1C=C2[C@@H](O)C[C@@H](C(=C)C)C[C@]2(C)[C@@H](C)C1

Other Databases

CHEBI ID
195993
PubChem CID
42608146

Calculated Physicochemical Properties

Heavy Atoms 16
Rings 2
Aromatic Rings 0
Rotatable Bonds 1
Van der Waals Molecular Volume 246.85
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 3.98
Molar Refractivity 68.64

Admin

Created at
-
Updated at
-