Structure Database (LMSD)

Common Name
Phycomysterol B
Systematic Name
19-nor-ergosta-5,7,9-trien-3β-ol
Synonyms
  • Dihydroneoergosterol
LM ID
LMST01031381
Formula
C27H42O
Exact Mass
Calculate m/z
382.323566
Sum Composition
ST 27:3;O
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Sterol Lipids [ST]
Sterols [ST01]
Ergosterols and C24-methyl derivatives [ST0103]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Phycomyces blakesleeanus (#4837)
Mucoromycetes (#2212703)
Phycomysterols and other sterols from the fungus Phycomyces blakesleeanus.,
J Nat Prod, 1998
Pubmed ID: 9868149

String Representations

InChiKey (Click to copy)
FYGDBMTUASHJML-WSKWOCNXSA-N
InChi (Click to copy)
InChI=1S/C27H42O/c1-17(2)18(3)6-7-19(4)25-12-13-26-24-10-8-20-16-21(28)9-11-22(20)23(24)14-15-27(25,26)5/h8,10,17-19,21,25-26,28H,6-7,9,11-16H2,1-5H3/t18-,19+,21-,25+,26-,27+/m0/s1
SMILES (Click to copy)
C12=CC=C3C[C@@H](O)CCC3=C1CC[C@]1(C)[C@@]([H])([C@@](C)([H])CC[C@H](C)C(C)C)CC[C@@]21[H]

Other Databases

PubChem CID
10619946

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 4
Aromatic Rings 1
Rotatable Bonds 5
Van der Waals Molecular Volume 416.19
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 6.98
Molar Refractivity 119.28

Admin

Created at
10th Feb 2026
Updated at
10th Feb 2026