Structure Database (LMSD)

HO O
Common Name
(+)-14,15-Epoxy-thapsan-14-ol
Systematic Name
Synonyms
LM ID
LMPR0103530001
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]
Thapsane and fukinane sesquiterpenoids [PR010353]

String Representations

InChiKey (Click to copy)
WYFUXAIEKPJVEH-JQPXUNLUSA-N
InChi (Click to copy)
InChI=1S/C15H26O2/c1-13(2)6-5-7-14(3)8-10-9-17-12(16)11(10)15(13,14)4/h10-12,16H,5-9H2,1-4H3/t10-,11-,12-,14+,15+/m0/s1
SMILES (Click to copy)
C1C[C@]2(C)C[C@H]3CO[C@H](O)[C@H]3[C@]2(C)C(C)(C)C1

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Thapsia villosa (#512635)
Magnoliopsida (#3398)
Natural sesquiterpenoids.,
Nat Prod Rep, 2003
Pubmed ID: 12964835

Other Databases

PubChem CID
11379426

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 31.53
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 3.76
Molar Refractivity 68.40

Admin

Created at
-
Updated at
19th Jul 2021