Structure Database (LMSD)

Common Name
epi-cedrol
Systematic Name
cedran-8-ol
Synonyms
  • (3R,3aS,6S,7R,8aS)-3,6,8,8-tetramethyloctahydro-1H-3a,7-methanoazulen-6-ol
  • 8-epicedrol
LM ID
LMPR0103690005
Formula
C15H26O
Exact Mass
Calculate m/z
222.198365
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C15 isoprenoids (sesquiterpenes) [PR0103]
Cedrane and isocedrane sesquiterpenoids [PR010369]

String Representations

InChiKey (Click to copy)
SVURIXNDRWRAFU-MIBAYGRRSA-N
InChi (Click to copy)
InChI=1S/C15H26O/c1-10-5-6-11-13(2,3)12-9-15(10,11)8-7-14(12,4)16/h10-12,16H,5-9H2,1-4H3/t10-,11+,12-,14+,15+/m1/s1
SMILES (Click to copy)
[C@H]1(C)[C@@]23[C@]([H])(C(C)(C)[C@@H](C2)[C@](O)(C)CC3)CC1

References

Other Databases

CHEBI ID
52226
PubChem CID
6713078

Calculated Physicochemical Properties

Heavy Atoms 16
Rings 3
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 239.77
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 3.90
Molar Refractivity 66.58

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Created at
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Updated at
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