Structure Database (LMSD)

Common Name
Dormantinol
Systematic Name
cholest-5-en-3β,22S,26S-triol
Synonyms
  • Dormatinol
LM ID
LMST01010101
Formula
C27H46O3
Exact Mass
Calculate m/z
418.344695
Sum Composition
ST 27:1;O3
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Sterol Lipids [ST]
Sterols [ST01]
Cholesterol and derivatives [ST0101]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Veratrum grandiflorum (#203092)
Magnoliopsida (#3398)
Dormantinol, a possible precursor in solanidine biosynthesis, from budding Veratrum grandiflorum,
Phytochemistry, 1977

String Representations

InChiKey (Click to copy)
YDFJGPFMKWECQA-BXTYSGRPSA-N
InChi (Click to copy)
InChI=1S/C27H46O3/c1-17(16-28)5-10-25(30)18(2)22-8-9-23-21-7-6-19-15-20(29)11-13-26(19,3)24(21)12-14-27(22,23)4/h6,17-18,20-25,28-30H,5,7-16H2,1-4H3/t17-,18-,20-,21-,22+,23-,24-,25-,26-,27+/m0/s1
SMILES (Click to copy)
[C@]12(CC=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@]([H])([C@@](C)([H])[C@@H](O)CC[C@@H](CO)C)CC[C@@]21[H])[H]

Other Databases

PubChem CID
186648

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 4
Aromatic Rings 0
Rotatable Bonds 6
Van der Waals Molecular Volume 449.95
Topological Polar Surface Area 60.69
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 3
logP 6.19
Molar Refractivity 123.37

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Created at
-
Updated at
3rd Feb 2021