Structure Database (LMSD)

Common Name
Maculasteroid C
Systematic Name
Cholestane-2β,3β,5α,6β,7α,15α,16β-heptol 15-sulfate
Synonyms
LM ID
LMST01010631
Formula
Exact Mass
Calculate m/z
564.296822
Sum Composition
Status
Curated

Classification

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Luidia maculata (#60584)
Asteroidea (#7588)
Polyhydroxylated from the Vietnamese starfish Luidia maculata,
Steroids, 2026
Pubmed ID: 41794352

String Representations

InChiKey (Click to copy)
BGAHLAINDUTKJI-VEFBXPIYSA-N
InChi (Click to copy)
InChI=1S/C27H48O10S/c1-13(2)7-6-8-14(3)19-21(30)22(31)20-18-15(9-10-25(19,20)4)26(5)11-16(28)17(29)12-27(26,33)24(32)23(18)37-38(34,35)36/h13-24,28-33H,6-12H2,1-5H3,(H,34,35,36)/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)C)[C@@H](O)[C@H](O)[C@@]4([H])[C@]3([H])[C@H](OS(O)(=O)=O)[C@@H](O)[C@@]2(O)C[C@@H](O)[C@H]1O

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 38
Rings 4
Aromatic Rings
Rotatable Bonds 7
Van der Waals Molecular Volume 532.63
Topological Polar Surface Area 184.98
Hydrogen Bond Donors 7
Hydrogen Bond Acceptors 10
logP 4.52
Molar Refractivity 141.39

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