Structure Database (LMSD)

Common Name
Pileadimenthenol B
Systematic Name
Synonyms
LM ID
LMPR0102090068
Formula
C20H34O4
Exact Mass
Calculate m/z
338.24571
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C10 isoprenoids (monoterpenes) [PR0102]
Menthane monoterpenoids [PR010209]

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

String Representations

InChiKey (Click to copy)
GMSSJSZXPRCNIL-NADOGSGZSA-N
InChi (Click to copy)
InChI=1S/C20H34O4/c1-11(2)15-10-19(14(6)7-18(15)22)23-24-20-8-13(5)17(21)9-16(20)12(3)4/h7-8,11-12,15-22H,9-10H2,1-6H3/t15-,16-,17+,18-,19+,20+/m1/s1
SMILES (Click to copy)
[C@H]1(O)[C@@H](C(C)C)C[C@H](OO[C@H]2C=C(C)[C@@H](O)C[C@@H]2C(C)C)C(C)=C1

Other Databases

PubChem CID
171120988

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 2
Aromatic Rings
Rotatable Bonds 5
Van der Waals Molecular Volume 359.72
Topological Polar Surface Area 58.92
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 4.78
Molar Refractivity 97.21

Admin

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