Structure Database (LMSD)

O O H OH H HO H HO
Common Name
Strophasterol E
Systematic Name
(22S,23R)-5α,6α-epoxy-3β,7β,23-trihydroxy-15(14-22)-abeo-ergost-8-en-14-one
Synonyms
LM ID
LMST01031188
Formula
C28H44O5
Exact Mass
Calculate m/z
460.318875
Sum Composition
ST 28:3;O5
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Sterol Lipids [ST]
Sterols [ST01]
Ergosterols and C24-methyl derivatives [ST0103]

String Representations

InChiKey (Click to copy)
CGJNJDOMWLRKDW-RPFBKPFJSA-N
InChi (Click to copy)
InChI=1S/C28H44O5/c1-14(2)15(3)22(30)18-7-8-19(16(18)4)26(5)11-10-20-21(24(26)32)23(31)25-28(33-25)13-17(29)9-12-27(20,28)6/h14-19,22-23,25,29-31H,7-13H2,1-6H3/t15-,16-,17+,18+,19-,22-,23-,25+,26-,27-,28+/m1/s1
SMILES (Click to copy)
C1C[C@H](O)C[C@]23O[C@H]2[C@H](O)C2C(=O)[C@@](C)([C@@]4(CC[C@@]([C@H](O)[C@@H](C(C)C)C)([H])[C@@]4([H])C)[H])CCC=2[C@@]13C

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Pleurotus eryngii (#5323)
Agaricomycetes (#155619)
Five undescribed steroids from Talaromyces stipitatus and their cytotoxic activities against hepatoma cell lines.,
Phytochemistry, 2021
Pubmed ID: 34087503

Other Databases

PubChem CID
171121182

Calculated Physicochemical Properties

Heavy Atoms 33
Rings 5
Aromatic Rings
Rotatable Bonds 4
Van der Waals Molecular Volume 469.83
Topological Polar Surface Area 90.29
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
logP 5.46
Molar Refractivity 128.90

Admin

Created at
18th Jun 2021
Updated at
20th Oct 2021