LIPID MAPS

Structure Database (LMSD)

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Common Name

Proversilin D

Systematic Name

Synonyms

LM ID

LMPR0103370007

Formula

C₂₆H₃₃NO₅

Exact Mass

Calculate m/z

439.235874

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Aspergillus versicolor (#46472)

Eurotiomycetes (#147545)

Proversilins A-E, Drimane-Type Sesquiterpenoids from the Endophytic Aspergillus versicolor.,
J Nat Prod, 2020

Pubmed ID: 32628478

String Representations

InChiKey (Click to copy)

DJUJOUYGEUPZCT-USXZWKKNSA-N

InChi (Click to copy)

InChI=1S/C26H33NO5/c1-17(28)27-21(18-8-5-4-6-9-18)14-23(29)32-16-25(2)12-7-13-26(3)20-15-31-24(30)19(20)10-11-22(25)26/h4-6,8-9,21-22H,7,10-16H2,1-3H3,(H,27,28)/t21-,22+,25-,26-/m1/s1

SMILES (Click to copy)

C1C[C@]2(C)C3COC(=O)C=3CC[C@@]2([H])[C@@](C)(COC(=O)C[C@@H](NC(=O)C)C2=CC=CC=C2)C1

Other Databases

PubChem CID

156580777

Calculated Physicochemical Properties

Heavy Atoms 32

Rings 4

Aromatic Rings 1

Rotatable Bonds 7

Van der Waals Molecular Volume 434.49

Topological Polar Surface Area 83.77

Hydrogen Bond Donors 1

Hydrogen Bond Acceptors 6

logP 4.83

Molar Refractivity 120.33

Admin

Created at

7th Jul 2020

Updated at