LIPID MAPS

Structure Database (LMSD)

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Common Name

Akebonic Acid

Systematic Name

3-β-hydroxy-30-Noroleana-12,20(29)-dien-28-oic acid

Synonyms

Akebonoic acid

LM ID

LMPR0106150075

Formula

C₂₉H₄₄O₃

Exact Mass

Calculate m/z

440.329046

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Akebia quinata (#13331)

Magnoliopsida (#3398)

riterpenoids of Akebia quinata callus tissue,
Phytochemistry, 1986

DOI: 10.1016/S0031-9422(00)81222-4

String Representations

InChiKey (Click to copy)

XWVVPZWKCNXREE-VSQYQUPVSA-N

InChi (Click to copy)

InChI=1S/C29H44O3/c1-18-9-14-29(24(31)32)16-15-27(5)19(20(29)17-18)7-8-22-26(4)12-11-23(30)25(2,3)21(26)10-13-28(22,27)6/h7,20-23,30H,1,8-17H2,2-6H3,(H,31,32)/t20-,21-,22+,23-,26-,27+,28+,29-/m0/s1

SMILES (Click to copy)

C1C[C@H](O)C(C)(C)[C@]2([H])CC[C@@]3(C)[C@@]4(C)C([C@@]5([H])[C@](C(=O)O)(CCC(=C)C5)CC4)=CC[C@]3([H])[C@@]12C

Other Databases

CHEBI ID

69588

PubChem CID

14036559

Calculated Physicochemical Properties

Heavy Atoms 32

Rings 5

Aromatic Rings

Rotatable Bonds 1

Van der Waals Molecular Volume 466.91

Topological Polar Surface Area 57.53

Hydrogen Bond Donors 2

Hydrogen Bond Acceptors 3

logP 7.05

Molar Refractivity 128.55

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Created at

9th Jun 2025

Updated at