LIPID MAPS

Structure Database (LMSD)

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Common Name

Ustusal A

Systematic Name

Synonyms

LM ID

LMPR0103370008

Formula

C₁₅H₂₄O₃

Exact Mass

Calculate m/z

252.172545

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Aspergillus ustus (#40382)

Eurotiomycetes (#147545)

Antibacterial Drimane Sesquiterpenes from Aspergillus ustus,
J Nat Prod, 2020

Pubmed ID: 33346651

String Representations

InChiKey (Click to copy)

UDLDHVHPUKXMQG-NZBPQXDJSA-N

InChi (Click to copy)

InChI=1S/C15H24O3/c1-10-8-11(17)12-13(2,3)6-5-7-14(12,4)15(10,18)9-16/h8-9,11-12,17-18H,5-7H2,1-4H3/t11-,12-,14-,15+/m0/s1

SMILES (Click to copy)

C1C[C@]2(C)[C@@](O)(C=O)C(C)=C[C@H](O)[C@@]2([H])C(C)(C)C1

Other Databases

PubChem CID

170988463

Calculated Physicochemical Properties

Heavy Atoms 18

Rings 2

Aromatic Rings 0

Rotatable Bonds 1

Van der Waals Molecular Volume 264.43

Topological Polar Surface Area 57.53

Hydrogen Bond Donors 2

Hydrogen Bond Acceptors 3

logP 2.64

Molar Refractivity 71.03

Admin

Created at

22nd Dec 2020

Updated at