Structure Database (LMSD)

HO H H H N H HO
Common Name
Leptinidine
Systematic Name
solanid-5-en-3β,23S-diol
Synonyms
LM ID
LMST01150009
Formula
C27H43NO2
Exact Mass
Calculate m/z
413.329379
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Sterol Lipids [ST]
Sterols [ST01]
Solanidines and alkaloid derivatives [ST0115]

String Representations

InChiKey (Click to copy)
RFIYLZGMGGONQR-QFJXAUAASA-N
InChi (Click to copy)
InChI=1S/C27H43NO2/c1-15-11-23(30)25-16(2)24-22(28(25)14-15)13-21-19-6-5-17-12-18(29)7-9-26(17,3)20(19)8-10-27(21,24)4/h5,15-16,18-25,29-30H,6-14H2,1-4H3/t15-,16-,18-,19+,20-,21-,22-,23-,24-,25-,26-,27-/m0/s1
SMILES (Click to copy)
C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@H]5[C@H](C)[C@@]6([H])[C@@H](O)C[C@H](C)CN6[C@H]5C[C@@]4([H])[C@]3([H])CC=C2C[C@@H](O)C1

References

Other Databases

PubChem CID
185580

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 6
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 427.44
Topological Polar Surface Area 43.70
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 6.06
Molar Refractivity 122.35

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Created at
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Updated at
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