Structure Database (LMSD)

Systematic Name
14-nor-lanosta-5-en-3β-ol
Synonyms
LM ID
LMST01030140
Formula
C29H50O
Exact Mass
Calculate m/z
414.386165
Sum Composition
ST 29:1;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Sterol Lipids [ST]
Sterols [ST01]
Ergosterols and C24-methyl derivatives [ST0103]

String Representations

InChiKey (Click to copy)
DASOUCLGLBPXLC-RFFCGCGHSA-N
InChi (Click to copy)
InChI=1S/C29H50O/c1-19(2)9-8-10-20(3)22-12-13-23-21-11-14-25-27(4,5)26(30)16-18-29(25,7)24(21)15-17-28(22,23)6/h14,19-24,26,30H,8-13,15-18H2,1-7H3/t20?,21?,22-,23?,24?,26+,28-,29-/m1/s1
SMILES (Click to copy)
C1C[C@]2(C)C3C(CC=C2C(C)(C)[C@H]1O)C1CC[C@H](C(C)CCCC(C)C)[C@@]1(C)CC3

Other Databases

PubChem CID
42608404

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 4
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 466.97
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 8.31
Molar Refractivity 128.73

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Created at
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Updated at
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