Structure Database (LMSD)

Systematic Name
5α-ergost-8(14)-en-3β-ol
Synonyms
LM ID
LMST01030113
Status
Active
Exact Mass
Calculate m/z
400.370515
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)
AWYDNKRGSOPYQB-ZHYOCZQLSA-N
InChi (Click to copy)
InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h18-22,24,26,29H,7-17H2,1-6H3/t19-,20+,21-,22-,24+,26-,27-,28+/m0/s1
SMILES (Click to copy)
C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@]([H])(C)CC[C@H](C)C(C)C)CCC4=C3CC[C@@]2([H])C[C@@H](O)C1

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Dioscorea polystachya (#55575)
Magnoliopsida (#3398)
5α-cholest-8(14)-en-3β-ol and three 24-alkyl-Δ8(14) -sterols from the bulbils of Dioscorea batatas,
Phytochemistry, 1991

Other Databases

CHEBI ID
LIPIDBANK ID
SST9136
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 4
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 449.67
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 8.07
Molar Refractivity 124.18

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Created at
-
Updated at
9th Mar 2022