LIPID MAPS

Structure Database (LMSD)

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Common Name

Ximaosarcophytol A

Systematic Name

Synonyms

LM ID

LMPR01040114

Formula

C₂₀H₃₂O₂

Exact Mass

Calculate m/z

304.24023

Status

Active

Show lipids differing only in stereochemistry/bond geometry

No other lipid differing only in stereochemistry/bond geometry found

Main

Classification

String Representations

InChiKey (Click to copy)

BNIVTRCVVDILPN-ZMDNBJCBSA-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/h8,11-12,14,21-22H,2,6-7,9-10,13,15H2,1,3-5H3/b14-12+,16-8+,18-11+/t20-/m1/s1

SMILES (Click to copy)

C1[C@@](C(O)(C)C)(O)CCC(C)=CCCC(C)=CCCC(=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

Other Databases

PubChem CID

171121376

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