Structure Database (LMSD)

Common Name
Epi-Torilenol
Systematic Name
5αH,6βH,7αH,8βH,10α-6,8-cycloeudesm-4(15)-en-1α-ol
Synonyms
LM ID
LMPR0103230001
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]
Cycloeudesmane sesquiterpenoids [PR010323]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Solidago gigantea (#330183)
Magnoliopsida (#3398)
Constituents of the essential oil of Solidago gigantea Ait.(giant goldenrod),
Flavour Fragr. J., 2001

String Representations

InChiKey (Click to copy)
WVVFQZGQVPKOMT-RBTXIFOQSA-N
InChi (Click to copy)
InChI=1S/C15H24O/c1-8(2)12-10-7-15(4)11(16)6-5-9(3)14(15)13(10)12/h8,10-14,16H,3,5-7H2,1-2,4H3/t10-,11+,12-,13-,14-,15-/m1/s1
SMILES (Click to copy)
C1[C@H](O)[C@@]2(C)C[C@]3([C@]([H])([C@@H]3C(C)C)[C@@]2([H])C(=C)C1)[H]

Other Databases

CHEBI ID
168409
PubChem CID
42608144

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 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 3.53
Molar Refractivity 66.41

Admin

Created at
-
Updated at
8th Jan 2021