LIPID MAPS

Structure Database (LMSD)

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Common Name

7-Oxoclionasterol

Systematic Name

(24S)-3β-hydroxy-24-ethylcholest-5-en-7-one

Synonyms

7-Ketoclionasterol

LM ID

LMST01040318

Formula

C₂₉H₄₈O₂

Exact Mass

Calculate m/z

428.365431

Sum Composition

ST 29:2;O2

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Cliona copiosa (#395614)

Demospongiae (#6042)

New Steroidal Hydroxyketones and Closely Related Diols from the Marine Sponge Cliona copiosa,
J Nat Prod, 2004

DOI: 10.1021/np50089a005

String Representations

InChiKey (Click to copy)

ICFXJOAKQGDRCT-HPYBIPJLSA-N

InChi (Click to copy)

InChI=1S/C29H48O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(30)16-21(28)17-26(27)31/h17-20,22-25,27,30H,7-16H2,1-6H3/t19-,20+,22+,23-,24+,25+,27+,28+,29-/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](CC)C(C)C)CC[C@@]4([H])[C@]3([H])C(=O)C=C2C[C@@H](O)C1

Calculated Physicochemical Properties

Heavy Atoms 31

Rings 4

Aromatic Rings

Rotatable Bonds 6

Van der Waals Molecular Volume 473.12

Topological Polar Surface Area 37.30

Hydrogen Bond Donors 1

Hydrogen Bond Acceptors 2

logP 7.49

Molar Refractivity 129.12

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Created at

28th Oct 2026

Updated at