LIPID MAPS

Structure Database (LMSD)

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Common Name

Alcyopterosin C

Systematic Name

Synonyms

LM ID

LMPR0103610007

Formula

C₁₅H₁₉NO₄

Exact Mass

Calculate m/z

277.131409

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)

PNYVCWGOHTZAPL-UHFFFAOYSA-N

InChi (Click to copy)

InChI=1S/C15H19NO4/c1-9-7-12-13(8-15(3,4)14(12)17)10(2)11(9)5-6-20-16(18)19/h7H,5-6,8H2,1-4H3

SMILES (Click to copy)

C1(C)=CC2C(=O)C(C)(C)CC=2C(C)=C1CCO[N+]([O-])=O

Other Databases

PubChem CID

10540485

Calculated Physicochemical Properties

Heavy Atoms 20

Rings 2

Aromatic Rings 1

Rotatable Bonds 4

Van der Waals Molecular Volume 265.40

Topological Polar Surface Area 69.44

Hydrogen Bond Donors

Hydrogen Bond Acceptors 5

logP 3.10

Molar Refractivity 74.87

Admin

Created at

23rd Jul 2021

Updated at