Structure Database (LMSD)
Common Name
Fomentarol C
Systematic Name
3β,5α-dihydroxy-6β-ethoyxergosta-7,22E-diene
Synonyms
- 6beta-Ethoxy-5alpha-ergosta-7,22-diene-3beta,5-diol
LM ID
LMST01031226
Formula
Exact Mass
Calculate m/z
458.375995
Sum Composition
Status
Active
3D model of Fomentarol C
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
AOULALMVQHSBFD-RZNWTAFTSA-N
InChi (Click to copy)
InChI=1S/C30H50O3/c1-8-33-27-17-23-25-12-11-24(21(5)10-9-20(4)19(2)3)28(25,6)15-14-26(23)29(7)16-13-22(31)18-30(27,29)32/h9-10,17,19-22,24-27,31-32H,8,11-16,18H2,1-7H3/b10-9+/t20-,21+,22-,24+,25-,26-,27+,28+,29+,30-/m0/s1
SMILES (Click to copy)
C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@]([H])(C)/C=C/[C@H](C)C(C)C)CC[C@@]4([H])C3=C[C@@H](OCC)[C@@]2(O)C[C@@H](O)C1
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Stropharia rugosoannulata
(#68746)
Agaricomycetes
(#155619)
An unusual sterol from the mushroom Stropharia rugosoannulata,
Tetrahedron Letts, 2013
Tetrahedron Letts, 2013
Fomes fomentarius
(#40442)
Agaricomycetes
(#155619)
Fomentarols A–D, sterols from the polypore macrofungus Fomes fomentarius,
Phytochemistry, 2013
Phytochemistry, 2013
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
33
Rings
4
Aromatic Rings
Rotatable Bonds
6
Van der Waals Molecular Volume
499.21
Topological Polar Surface Area
49.69
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
logP
7.68
Molar Refractivity
137.79
Admin
Created at
17th Jan 2022
Updated at
17th Jan 2022