Structure Database (LMSD)

Common Name
Pileadimenthenol B
Systematic Name
Synonyms
LM ID
LMPR0102090068
Status
Active
Exact Mass
Calculate m/z
338.24571
Formula


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

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

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

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

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