Structure Database (LMSD)

Common Name
Sibogol F
Systematic Name
Cholest-1,4,24-trien-3-one
Synonyms
LM ID
LMST01040288
Formula
C27H40O
Exact Mass
Calculate m/z
380.307915
Sum Composition
ST 27:4;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Sterol Lipids [ST]
Sterols [ST01]
Stigmasterols and C24-ethyl derivatives [ST0104]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Muricella (#991083)
Anthozoa (#6101)
Structural diversity of bioactive steroid compounds isolated from soft corals in the period 2015-2020.,
J Steroid Biochem Mol Biol, 2022
Pubmed ID: 35031429

String Representations

InChiKey (Click to copy)
QZDFWWJJVPACDE-GYKMGIIDSA-N
InChi (Click to copy)
InChI=1S/C27H40O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h7,13,15,17,19,22-25H,6,8-12,14,16H2,1-5H3/t19-,22+,23-,24+,25+,26+,27-/m1/s1
SMILES (Click to copy)
C1=CC(=O)C=C2CC[C@@]3([H])[C@]4([H])CC[C@@]([C@@H](CC/C=C(/C)\C)C)([H])[C@@]4(C)CC[C@]3([H])[C@@]12C

Other Databases

PubChem CID
163112860

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 4
Aromatic Rings
Rotatable Bonds 4
Van der Waals Molecular Volume 424.45
Topological Polar Surface Area 17.07
Hydrogen Bond Donors
Hydrogen Bond Acceptors 1
logP 7.29
Molar Refractivity 117.94

Admin

Created at
8th Feb 2022
Updated at
8th Feb 2022