LIPID MAPS

Structure Database (LMSD)

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Common Name

1,10-epoxydeltoidin A

Systematic Name

Synonyms

LM ID

LMPR0103090036

Formula

C₁₉H₂₆O₆

Exact Mass

Calculate m/z

350.17294

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Ageratina (#102749)

Magnoliopsida (#3398)

A new germacranolide from Ageratina vernalis.,
Nat Prod Res, 2020

Pubmed ID: 32998543

String Representations

InChiKey (Click to copy)

ODHOUUHGBKXLJZ-ILPIULFJSA-N

InChi (Click to copy)

InChI=1S/C19H26O6/c1-5-10(2)17(21)22-12-9-19(4)13(24-19)6-7-18(3)16(25-18)15-11(12)8-14(20)23-15/h5,11-13,15-16H,6-9H2,1-4H3/b10-5-/t11-,12-,13-,15+,16+,18-,19+/m1/s1

SMILES (Click to copy)

[C@H]12O[C@@]1(C)C[C@@H](OC(=O)/C(/C)=C\C)[C@H]1CC(=O)O[C@@H]1[C@@H]1O[C@]1(C)CC2

Other Databases

PubChem CID

171118748

Calculated Physicochemical Properties

Heavy Atoms 25

Rings 4

Aromatic Rings 0

Rotatable Bonds 3

Van der Waals Molecular Volume 332.64

Topological Polar Surface Area 79.73

Hydrogen Bond Donors 0

Hydrogen Bond Acceptors 6

logP 4.01

Molar Refractivity 90.78

Admin

Created at

2nd Oct 2020

Updated at