LIPID MAPS

Structure Database (LMSD)

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Common Name

Neoergosterol

Systematic Name

19-Norergosta-5,7,9,22-tetraen-3β-ol

Synonyms

LM ID

LMST01031382

Formula

C₂₇H₄₀O

Exact Mass

Calculate m/z

380.307916

Sum Composition

ST 27:4;O

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

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

DOI: 10.1021/np980199h

String Representations

InChiKey (Click to copy)

MNMJPUHGVUDRCV-DOOCTISASA-N

InChi (Click to copy)

InChI=1S/C27H40O/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/h6-8,10,17-19,21,25-26,28H,9,11-16H2,1-5H3/b7-6+/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])/C=C/[C@H](C)C(C)C)CC[C@@]21[H]

Other Databases

PubChem CID

10571850

Calculated Physicochemical Properties

Heavy Atoms 28

Rings 4

Aromatic Rings 1

Rotatable Bonds 4

Van der Waals Molecular Volume 413.55

Topological Polar Surface Area 20.23

Hydrogen Bond Donors 1

Hydrogen Bond Acceptors 1

logP 6.75

Molar Refractivity 119.18

Admin

Created at

10th Feb 2026

Updated at