LIPID MAPS

Structure Database (LMSD)

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Common Name

Alcyopterosin B

Systematic Name

Synonyms

LM ID

LMPR0103610004

Formula

C₁₅H₂₁NO₃

Exact Mass

Calculate m/z

263.152144

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Alcyonium antarcticum (#2747890)

Anthozoa (#6101)

Natural sesquiterpenoids.,
Nat Prod Rep, 2001

Pubmed ID: 11820763

String Representations

InChiKey (Click to copy)

UJHFESNVIHZCMA-UHFFFAOYSA-N

InChi (Click to copy)

InChI=1S/C15H21NO3/c1-10-7-12-8-15(3,4)9-14(12)11(2)13(10)5-6-19-16(17)18/h7H,5-6,8-9H2,1-4H3

SMILES (Click to copy)

C1(C)=CC2CC(C)(C)CC=2C(C)=C1CCO[N+]([O-])=O

Other Databases

PubChem CID

10754035

Calculated Physicochemical Properties

Heavy Atoms 19

Rings 2

Aromatic Rings 1

Rotatable Bonds 4

Van der Waals Molecular Volume 259.25

Topological Polar Surface Area 52.37

Hydrogen Bond Donors

Hydrogen Bond Acceptors 4

logP 3.46

Molar Refractivity 74.25

Admin

Created at

23rd Jul 2021

Updated at