LIPID MAPS

Structure Database (LMSD)

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Common Name

7alpha-Hydroxy-crinosterol

Systematic Name

Campesta-5,22E-dien-3β,7α-diol

Synonyms

7alpha-Hydroxy-pinasterol

LM ID

LMST01031399

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

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)

JVEARGBOXRHBPV-OFCDJYHHSA-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/h7-8,16-19,21-26,29-30H,9-15H2,1-6H3/b8-7+/t18-,19-,21+,22-,23+,24+,25-,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)/C=C/[C@@H](C)C(C)C)CC[C@@]4([H])[C@]3([H])[C@H](O)C=C2C[C@@H](O)C1

Other Databases

PubChem CID

162946343

Calculated Physicochemical Properties

Heavy Atoms 30

Rings 4

Aromatic Rings

Rotatable Bonds 4

Van der Waals Molecular Volume 455.82

Topological Polar Surface Area 40.46

Hydrogen Bond Donors 2

Hydrogen Bond Acceptors 2

logP 6.95

Molar Refractivity 125.92

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Created at

28th Oct 2026

Updated at