LIPID MAPS

Structure Database (LMSD)

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Systematic Name

5α-Cholestane-3β,7α,6β,7α,15α,16β,26-hexol

Synonyms

LM ID

LMST01010633

Formula

C₂₇H₄₈O₆

Exact Mass

Calculate m/z

468.345091

Sum Composition

ST 27:0;O6

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Luidia maculata (#60584)

Asteroidea (#7588)

New Polyhydroxylated Sterols from the Starfish Luidia maculata,
J Nat Prod, 1984

DOI: 10.1021/np50035a005

String Representations

InChiKey (Click to copy)

CJQRVJNKQSUIFP-KUDIKQKISA-N

InChi (Click to copy)

InChI=1S/C27H48O6/c1-14(13-28)6-5-7-15(2)20-24(32)25(33)21-19-17(9-11-27(20,21)4)26(3)10-8-16(29)12-18(26)22(30)23(19)31/h14-25,28-33H,5-13H2,1-4H3/t14?,15-,16+,17+,18-,19-,20+,21-,22+,23+,24-,25-,26-,27-/m1/s1

SMILES (Click to copy)

C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@]([H])(C)CCCC(C)CO)[C@@H](O)[C@H](O)[C@@]4([H])[C@]3([H])[C@H](O)[C@@H](O)[C@@]2([H])C[C@@H](O)C1

Other Databases

PubChem CID

185256

Calculated Physicochemical Properties

Heavy Atoms 33

Rings 4

Aromatic Rings

Rotatable Bonds 6

Van der Waals Molecular Volume 478.96

Topological Polar Surface Area 121.38

Hydrogen Bond Donors 6

Hydrogen Bond Acceptors 6

logP 4.04

Molar Refractivity 129.10

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Created at

10th Mar 2026

Updated at