Structure Database (LMSD)

HO H H O H H H
Common Name
22,23-epoxycampesterol
Systematic Name
22,23-epoxycampest-5-en-3β-ol
Synonyms
  • 22,23-epoxy-24S-methylcholest-5-en-3beta-ol
LM ID
LMST01010301
Formula
C28H46O2
Exact Mass
Calculate m/z
414.34978
Sum Composition
ST 28:2;O2
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Sterol Lipids [ST]
Sterols [ST01]
Cholesterol and derivatives [ST0101]

String Representations

InChiKey (Click to copy)
ZPODYVOEXOEZAC-RHVMODGISA-N
InChi (Click to copy)
InChI=1S/C28H46O2/c1-16(2)17(3)25-26(30-25)18(4)22-9-10-23-21-8-7-19-15-20(29)11-13-27(19,5)24(21)12-14-28(22,23)6/h7,16-18,20-26,29H,8-15H2,1-6H3/t17-,18-,20-,21-,22+,23-,24-,25?,26?,27-,28+/m0/s1
SMILES (Click to copy)
[C@]12(CC=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@]([H])([C@@](C)([H])C3OC3[C@@H](C)C(C)C)CC[C@@]21[H])[H]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
unclassified Hyrtios (#2642121)
Demospongiae (#6042)
Marine Sterols,
Nat Prod Rep, 1991

Other Databases

PubChem CID
52931322

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 5
Aromatic Rings 0
Rotatable Bonds 4
Van der Waals Molecular Volume 446.10
Topological Polar Surface Area 32.76
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 7.48
Molar Refractivity 124.56

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Updated at
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