Structure Database (LMSD)

Systematic Name
Cholestane-3β,5α,7α,6β,7α,15α,16β,26-heptol
Synonyms
LM ID
LMST01010634
Formula
Exact Mass
Calculate m/z
484.340006
Sum Composition
Status
Curated

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

String Representations

InChiKey (Click to copy)
OUIDDJQSHXRSHT-SCSYQTAYSA-N
InChi (Click to copy)
InChI=1S/C27H48O7/c1-14(13-28)6-5-7-15(2)19-22(31)23(32)20-18-17(9-10-25(19,20)3)26(4)11-8-16(29)12-27(26,34)24(33)21(18)30/h14-24,28-34H,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(O)C[C@@H](O)C1

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 34
Rings 4
Aromatic Rings
Rotatable Bonds 6
Van der Waals Molecular Volume 487.75
Topological Polar Surface Area 141.61
Hydrogen Bond Donors 7
Hydrogen Bond Acceptors 7
logP 3.44
Molar Refractivity 131.07

Admin

Created at
10th Mar 2026
Updated at
10th Mar 2026