LIPID MAPS

Structure Database (LMSD)

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Common Name

Isoarborinol

Systematic Name

Synonyms

LM ID

LMPR0106200009

Formula

C₃₀H₅₀O

Exact Mass

Calculate m/z

426.386165

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Glycosmis pentaphylla (#76967)

Magnoliopsida (#3398)

Studies on Indian Medicinal Plants. Part X. Isolation of Neutral Components from Glycosmis Arborea (Roxb.) DC.,
J INd Chem Soc, 1964

DOI: 10.5281/zenodo.6511267

String Representations

InChiKey (Click to copy)

VWYANPOOORUCFJ-MBVQSDBHSA-N

InChi (Click to copy)

InChI=1S/C30H50O/c1-19(2)20-9-12-24-28(20,6)17-18-29(7)22-10-11-23-26(3,4)25(31)14-15-27(23,5)21(22)13-16-30(24,29)8/h13,19-20,22-25,31H,9-12,14-18H2,1-8H3/t20-,22+,23-,24-,25-,27+,28-,29-,30+/m0/s1

SMILES (Click to copy)

C1C[C@]2(C)C3=CC[C@]4(C)[C@@]5([H])CC[C@@H](C(C)C)[C@]5(C)CC[C@@]4(C)[C@]3([H])CC[C@@]2([H])C(C)(C)[C@H]1O

Other Databases

KEGG ID

C16973

CHEBI ID

80835

PubChem CID

12305182

Calculated Physicochemical Properties

Heavy Atoms 31

Rings 5

Aromatic Rings

Rotatable Bonds 1

Van der Waals Molecular Volume 471.91

Topological Polar Surface Area 20.23

Hydrogen Bond Donors 1

Hydrogen Bond Acceptors 1

logP 8.31

Molar Refractivity 131.16

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Created at

27th Mar 2023

Updated at