Structure Database (LMSD)

Common Name
Ximaosarcophytol B
Systematic Name
Synonyms
LM ID
LMPR01040115
Status
Active
Exact Mass
Calculate m/z
304.24023
Formula
C20H32O2
Show lipids differing only in stereochemistry/bond geometry
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MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

Category
Main Class
Sub Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C20 isoprenoids (diterpenes) [PR0104]

String Representations

InChiKey (Click to copy)
SECPNCQNMJDPBF-STMGXBFISA-N
InChi (Click to copy)
InChI=1S/C20H32O2/c1-16-8-6-10-17(2)12-14-20(22,19(4,5)21)15-13-18(3)11-7-9-16/h8,10-12,14,21-22H,6-7,9,13,15H2,1-5H3/b14-12+,16-8+,17-10-,18-11+/t20-/m1/s1
SMILES (Click to copy)
C1[C@@](C(O)(C)C)(O)CCC(C)=CCCC(C)=CCC=C(C)C=1

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Sarcophyton trocheliophorum (#205097)
Anthozoa (#6101)
Further new cembranoids from the South China Sea soft coral Sarcophyton trocheliophorum.,
Fitoterapia, 2021
Pubmed ID: 33819542

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 1
Aromatic Rings 0
Rotatable Bonds 1
Van der Waals Molecular Volume 349.22
Topological Polar Surface Area 40.46
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 5.42
Molar Refractivity 95.77

Admin

Created at
12th Apr 2021
Updated at
12th Apr 2021