Structure Database (LMSD)

H H HO H H H
Systematic Name
24-ethylcholesta-5,24-dien-3β-ol
Synonyms
LM ID
LMST01040131
Formula
Exact Mass
Calculate m/z
412.370515
Sum Composition
Status
Active

Main

Classification

String Representations

InChiKey (Click to copy)
YYLFLRIUDMIWTD-VEVYEIKRSA-N
InChi (Click to copy)
InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,20,23-27,30H,7-9,11-18H2,1-6H3/t20-,23+,24+,25-,26+,27+,28+,29-/m1/s1
SMILES (Click to copy)
C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@]([H])(C)CC/C(/CC)=C(\C)/C)CC[C@@]4([H])[C@]3([H])CC=C2C[C@@H](O)C1

References

Other Databases

LIPIDBANK ID
SST9093
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 4
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 464.33
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 8.38
Molar Refractivity 128.77

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Created at
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Updated at
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