Structure Database (LMSD)

Common Name
14alpha-Methylfecosterol
Systematic Name
14.α-methyl-5α-ergosta-8,24(28)-dien-3β-ol
Synonyms
LM ID
LMST01031312
Formula
Exact Mass
Calculate m/z
412.370515
Sum Composition
Status
Active

Classification

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Mycosarcoma maydis (#5270)
Ustilaginomycetes (#5257)
A mutant of Ustilago maydis deficient in sterol C-14 demethylation: Characteristics and sensitivity to inhibitors of ergosterol biosynthesis,
Pesticide Biochem Physiol, 1982

String Representations

InChiKey (Click to copy)
OOSRLXVESAEQCR-GLISWAMPSA-N
InChi (Click to copy)
InChI=1S/C29H48O/c1-19(2)20(3)8-9-21(4)24-13-16-29(7)26-11-10-22-18-23(30)12-15-27(22,5)25(26)14-17-28(24,29)6/h19,21-24,30H,3,8-18H2,1-2,4-7H3/t21-,22+,23+,24-,27+,28-,29+/m1/s1
SMILES (Click to copy)
C1C[C@H](O)C[C@]2([H])CCC3[C@]4(C)CC[C@]([H])([C@H](C)CCC(=C)C(C)C)[C@@]4(C)CCC=3[C@@]12C

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 4
Aromatic Rings
Rotatable Bonds 5
Van der Waals Molecular Volume 464.33
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 8.38
Molar Refractivity 128.77

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Created at
4th Apr 2023
Updated at
4th Apr 2023