Structure Database (LMSD)

Systematic Name
14α,24S-dimethyl-9β,19-cyclo-5α-cholest-25-en-3β-ol
Synonyms
LM ID
LMST01100066
Formula
C29H48O
Exact Mass
Calculate m/z
412.370515
Sum Composition
ST 29:2;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Sterol Lipids [ST]
Sterols [ST01]
Cycloartanols and derivatives [ST0110]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Musa balbisiana (#52838)
Magnoliopsida (#3398)
(24S)-14α,24-dimethyl-9β,19-cyclo-5α-cholest-25-en-3β-ol: A new sterol and other sterols in Musa sapientum,
Lipids, 1986

String Representations

InChiKey (Click to copy)
NEYDVBKPEQZSBX-GOMYUCCZSA-N
InChi (Click to copy)
InChI=1S/C29H48O/c1-19(2)20(3)7-8-21(4)24-12-13-27(6)25-10-9-22-17-23(30)11-14-28(22)18-29(25,28)16-15-26(24,27)5/h20-25,30H,1,7-18H2,2-6H3/t20-,21+,22-,23-,24+,25-,26+,27-,28+,29-/m0/s1
SMILES (Click to copy)
C1C[C@H](O)C[C@]2([H])CC[C@]3([H])[C@@]4(C[C@@]421)CC[C@]1(C)[C@@]([H])([C@H](C)CC[C@H](C)C(C)=C)CC[C@]13C

Other Databases

PubChem CID
165347422

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 5
Aromatic Rings
Rotatable Bonds 5
Van der Waals Molecular Volume 454.61
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 8.07
Molar Refractivity 126.61

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Created at
16th Jan 2024
Updated at
16th Jan 2024