LIPID MAPS

Structure Database (LMSD)

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Common Name

7-Ketocampesterol

Systematic Name

3β-hydroxycampest-5-en-7-one

Synonyms

7-Oxocampesterol

LM ID

LMST01031396

Formula

C₂₈H₄₆O₂

Exact Mass

Calculate m/z

414.349781

Sum Composition

ST 28:2;O2

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

No other lipid differing only in stereochemistry/bond geometry found

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Mallotus paniculatus (#109864)

Magnoliopsida (#3398)

Steroids from Mallotus paniculatus,
Chem Nat Comp, 2013

DOI: 10.1007/s10600-013-0678-x

String Representations

InChiKey (Click to copy)

LTLKHSBYMNKWPF-KANLMKGOSA-N

InChi (Click to copy)

InChI=1S/C28H46O2/c1-17(2)18(3)7-8-19(4)22-9-10-23-26-24(12-14-28(22,23)6)27(5)13-11-21(29)15-20(27)16-25(26)30/h16-19,21-24,26,29H,7-15H2,1-6H3/t18-,19-,21+,22-,23+,24+,26+,27+,28-/m1/s1

SMILES (Click to copy)

C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@]([H])(C)CC[C@@H](C)C(C)C)CC[C@@]4([H])[C@]3([H])C(=O)C=C2C[C@@H](O)C1

Other Databases

PubChem CID

101704474

Calculated Physicochemical Properties

Heavy Atoms 30

Rings 4

Aromatic Rings

Rotatable Bonds 5

Van der Waals Molecular Volume 455.82

Topological Polar Surface Area 37.30

Hydrogen Bond Donors 1

Hydrogen Bond Acceptors 2

logP 7.10

Molar Refractivity 124.50

Admin

Created at

28th Oct 2026

Updated at