Structure Database (LMSD)

Common Name
Dormantinol
Systematic Name
cholest-5-en-3β,22S,26S-triol
Synonyms
  • Dormatinol
LM ID
LMST01010101
Status
Active
Exact Mass
Calculate m/z
418.344695
Formula
Abbrev


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

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]

References

Reference
Dormantinol, a possible precursor in solanidine biosynthesis, from budding Veratrum grandiflorum
Phytochemistry 1977
DOI: 10.1016/S0031-9422(00)94367-X

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

Other Databases

PubChem CID

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