Structure Database (LMSD)

O O O HO
Common Name
Pileadimenthenol C
Systematic Name
Synonyms
LM ID
LMPR0102090069
Formula
C20H32O4
Exact Mass
Calculate m/z
336.23006
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]
C10 isoprenoids (monoterpenes) [PR0102]
Menthane monoterpenoids [PR010209]

String Representations

InChiKey (Click to copy)
PWDLCVZKNWOHQE-JGLNRKDHSA-N
InChi (Click to copy)
InChI=1S/C20H32O4/c1-12(2)15-7-8-20(6,19(22)10-15)24-23-18-11-16(13(3)4)17(21)9-14(18)5/h7-9,12-13,15-18,21H,10-11H2,1-6H3/t15-,16-,17+,18+,20+/m1/s1
SMILES (Click to copy)
[C@@H]1(O)[C@@H](C(C)C)C[C@H](OO[C@]2(C)C(=O)C[C@H](C(C)C)C=C2)C(C)=C1

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Pilea aquarum subsp. brevicornuta (#2803930)
Magnoliopsida (#3398)
p-Menthene-type monoterpene peroxy dimers from Pilea aquarum subsp. brevicornuta,
Tetrahedron Letts, 2021

Other Databases

PubChem CID
171120989

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 2
Aromatic Rings
Rotatable Bonds 5
Van der Waals Molecular Volume 357.08
Topological Polar Surface Area 55.76
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
logP 4.71
Molar Refractivity 95.70

Admin

Created at
4th Feb 2022
Updated at
6th Apr 2022