Structure Database (LMSD)
Common Name
zymosterol intermediate 1c
Systematic Name
1-(3β-hydroxy-5α-cholesta-8,24-dien-4-yl)ethanone
Synonyms
LM ID
LMST01010170
Formula
Exact Mass
Calculate m/z
426.34978
Sum Composition
Status
Active
3D model of zymosterol intermediate 1c
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)
GGLAWNOISZYLHT-FICDAWEZSA-N
InChi (Click to copy)
InChI=1S/C29H46O2/c1-18(2)8-7-9-19(3)22-12-13-23-21-10-11-25-27(20(4)30)26(31)15-17-29(25,6)24(21)14-16-28(22,23)5/h8,19,22-23,25-27,31H,7,9-17H2,1-6H3/t19-,22-,23+,25+,26+,27?,28-,29-/m1/s1
SMILES (Click to copy)
C1C[C@H](O)C(C(C)=O)[C@]2([H])CCC3=C([C@]21C)CC[C@]1(C)[C@@]([H])([C@H](C)CC/C=C(/C)\C)CC[C@]13[H]
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
31
Rings
4
Aromatic Rings
0
Rotatable Bonds
5
Van der Waals Molecular Volume
470.48
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
7.55
Molar Refractivity
129.16
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Created at
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Updated at
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