Structure Database (LMSD)

H HO OH
Common Name
Clovane-2beta,9alpha-diol
Systematic Name
Synonyms
LM ID
LMPR0103710001
Formula
C15H26O2
Exact Mass
Calculate m/z
238.19328
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]
Clovane sesquiterpenoids [PR010371]

String Representations

InChiKey (Click to copy)
BWXJQHJHGMZLBT-OEMOEHNSSA-N
InChi (Click to copy)
InChI=1S/C15H26O2/c1-13(2)8-12(17)15-7-5-11(16)14(3,9-15)6-4-10(13)15/h10-12,16-17H,4-9H2,1-3H3/t10-,11+,12-,14+,15-/m0/s1
SMILES (Click to copy)
[C@@]123CC[C@@H](O)[C@](C)(CC[C@@]1([H])C(C)(C)C[C@@H]2O)C3

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Salvia chinensis (#424420)
Magnoliopsida (#3398)
Natural sesquiterpenoids,
Nat Prod Rep, 2007

Other Databases

CHEBI ID
185268
PubChem CID
15599878

Calculated Physicochemical Properties

Heavy Atoms 17
Rings 3
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 248.56
Topological Polar Surface Area 40.46
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 3.30
Molar Refractivity 68.55

Admin

Created at
-
Updated at
14th Jun 2021