Structure Database (LMSD)
Common Name
(3beta,24R,24'R)-fucosterol epoxide
Systematic Name
24R,28R-epoxystigmast-5-en-3β-ol
Synonyms
- (24R,24'R)-Fucosterol epoxide
- (24R,28R)-Fucosterol epoxide
- (24R,28R)-24,28-epoxystigmast-5-en-3beta-ol
LM ID
LMST01040151
Formula
Exact Mass
Calculate m/z
428.36543
Sum Composition
Status
Active
3D model of (3beta,24R,24'R)-fucosterol epoxide
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
XUBCLKHKJZCPFZ-UMKPQZCOSA-N
InChi (Click to copy)
InChI=1S/C29H48O2/c1-18(2)29(20(4)31-29)16-11-19(3)24-9-10-25-23-8-7-21-17-22(30)12-14-27(21,5)26(23)13-15-28(24,25)6/h7,18-20,22-26,30H,8-17H2,1-6H3/t19-,20-,22+,23+,24-,25+,26+,27+,28-,29-/m1/s1
SMILES (Click to copy)
[C@]12([C@]([H])(CC[C@@]3([C@@](CC[C@@]13[H])([H])[C@H](C)CC[C@@]1(O[C@@H]1C)C(C)C)C)[C@@]1(C)CC[C@H](O)CC1=CC2)[H]
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
31
Rings
5
Aromatic Rings
0
Rotatable Bonds
5
Van der Waals Molecular Volume
463.40
Topological Polar Surface Area
32.76
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
8.02
Molar Refractivity
129.25
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Created at
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Updated at
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