LIPID MAPS

Structure Database (LMSD)

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Common Name

Alcyopterosin H

Systematic Name

Synonyms

LM ID

LMPR0103610009

Formula

C₁₅H₂₁NO₄

Exact Mass

Calculate m/z

279.147059

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

QCCAHYCTJMRAJO-AWEZNQCLSA-N

InChi (Click to copy)

InChI=1S/C15H21NO4/c1-9-7-12-13(8-15(3,4)14(12)17)10(2)11(9)5-6-20-16(18)19/h7,14,17H,5-6,8H2,1-4H3/t14-/m0/s1

SMILES (Click to copy)

C1(C)=CC2[C@H](O)C(C)(C)CC=2C(C)=C1CCO[N+]([O-])=O

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Alcyonium antarcticum (#2747890)

Anthozoa (#6101)

Natural sesquiterpenoids.,
Nat Prod Rep, 2001

Pubmed ID: 11820763

Other Databases

PubChem CID

10516792

Calculated Physicochemical Properties

Heavy Atoms 20

Rings 2

Aromatic Rings 1

Rotatable Bonds 4

Van der Waals Molecular Volume 268.04

Topological Polar Surface Area 72.60

Hydrogen Bond Donors 1

Hydrogen Bond Acceptors 5

logP 2.95

Molar Refractivity 75.50

Admin

Created at

23rd Jul 2021

Updated at