LIPID MAPS

Structure Database (LMSD)

Download as... MDLMOL SDF CSV TSV PNG SVG

Common Name

Artonol B

Systematic Name

12-acetyl-6-hydroxy-3,3,9,9-tetramethylfuro[3,4-b]pyrano[3,2-h]xanthene-7,11(3h,9h)-dione

Synonyms

LM ID

LMPK12113418

Formula

C₂₄H₂₀O₇

Exact Mass

Calculate m/z

420.120905

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Artocarpus altilis (#194251)

Magnoliopsida (#3398)

Artonols A, B, C, D, and E, Five New Isoprenylated Phenols from the Bark of Artocarpus communis Forst,
HETEROCYCLES, 1997

DOI: 10.3987/com-96-7666

String Representations

InChiKey (Click to copy)

LWJBUOOKYYTUDX-UHFFFAOYSA-N

InChi (Click to copy)

InChI=1S/C24H20O7/c1-10(25)16-17-13(24(4,5)31-22(17)28)8-12-19(27)18-14(26)9-15-11(20(18)29-21(12)16)6-7-23(2,3)30-15/h6-9,26H,1-5H3

SMILES (Click to copy)

C12C(=O)OC(C)(C)C1=CC1C(=O)C3=C(O)C=C4OC(C)(C)C=CC4=C3OC=1C=2C(=O)C

Other Databases

CHEBI ID

172660

PubChem CID

10740797

Calculated Physicochemical Properties

Heavy Atoms 31

Rings 5

Aromatic Rings 2

Rotatable Bonds 1

Van der Waals Molecular Volume 375.29

Topological Polar Surface Area 105.34

Hydrogen Bond Donors 1

Hydrogen Bond Acceptors 7

logP 4.81

Molar Refractivity 110.75

Admin

Created at

16th Apr 2026

Updated at