LIPID MAPS

Structure Database (LMSD)

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Systematic Name

3β-hydroxy-24-norcholesta-5,22E-dien-7- one

Synonyms

LM ID

LMST01010640

Formula

C₂₆H₄₀O₂

Exact Mass

Calculate m/z

384.302831

Sum Composition

ST 26:3;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)

JJMODZRVBRGXDA-QWJKVHSBSA-N

InChi (Click to copy)

InChI=1S/C26H40O2/c1-16(2)6-7-17(3)20-8-9-21-24-22(11-13-26(20,21)5)25(4)12-10-19(27)14-18(25)15-23(24)28/h6-7,15-17,19-22,24,27H,8-14H2,1-5H3/b7-6+/t17-,19+,20-,21+,22+,24+,25+,26-/m1/s1

SMILES (Click to copy)

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

Other Databases

PubChem CID

162938374

Calculated Physicochemical Properties

Heavy Atoms 28

Rings 4

Aromatic Rings

Rotatable Bonds 3

Van der Waals Molecular Volume 418.58

Topological Polar Surface Area 37.30

Hydrogen Bond Donors 1

Hydrogen Bond Acceptors 2

logP 6.24

Molar Refractivity 115.24

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Created at

28th Oct 2026

Updated at