Structure Database (LMSD)
Common Name
dihydrotachysterol2
Systematic Name
(5E,7E,22E)-(3S,10S)-9,10-seco-5,7,22-ergostatrien-3-ol
Synonyms
- (5E)-(10S)-10,19-dihydroergocalciferol
- (5E)-(10S)-10,19-dihydrovitamin D2
- DHT2
3D model of dihydrotachysterol2
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
ILYCWAKSDCYMBB-OPCMSESCSA-N
InChi (Click to copy)
InChI=1S/C28H46O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h9-10,12-13,19-22,25-27,29H,7-8,11,14-18H2,1-6H3/b10-9+,23-12+,24-13+/t20-,21-,22+,25-,26+,27-,28+/m0/s1
SMILES (Click to copy)
[C@@H]1(O)C/C(=C\C=C2\[C@]3([H])CC[C@@]([C@@](C)([H])/C=C/[C@H](C)C(C)C)([H])[C@@]3(C)CCC\2)/[C@@H](C)CC1
References
Calculated Physicochemical Properties
Heavy Atoms
29
Rings
3
Aromatic Rings
0
Rotatable Bonds
5
Van der Waals Molecular Volume
456.75
Topological Polar Surface Area
20.23
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
1
logP
8.01
Molar Refractivity
126.18
Admin
Created at
-
Updated at
8th Mar 2022