Structure Database (LMSD)
Common Name
Durissimasterol
Systematic Name
24,24,26-trimethylcholest-5,25(27)-dien-3β-ol
Synonyms
3D model of Durissimasterol
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Petrosia durissima
(#2737399)
Demospongiae
(#6042)
Minor and trace sterols in marine invertebrates 30. Isolation, structure elucidation and partial synthesis of 26-methylstrongylosterol and 28-methylxestosterol - two marine sterols arising by a novel quadruple biomethylation sequence,
Tetrahedron Letts, 1981
Tetrahedron Letts, 1981
String Representations
InChiKey (Click to copy)
XTQQODGMWJGROK-CMZGQUJUSA-N
InChi (Click to copy)
InChI=1S/C30H50O/c1-8-21(3)28(4,5)16-13-20(2)25-11-12-26-24-10-9-22-19-23(31)14-17-29(22,6)27(24)15-18-30(25,26)7/h9,20,23-27,31H,3,8,10-19H2,1-2,4-7H3/t20-,23+,24+,25-,26+,27+,29+,30-/m1/s1
SMILES (Click to copy)
C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@]([H])(C)CCC(C)(C)C(=C)CC)CC[C@@]4([H])[C@]3([H])CC=C2C[C@@H](O)C1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
31
Rings
4
Aromatic Rings
0
Rotatable Bonds
6
Van der Waals Molecular Volume
481.63
Topological Polar Surface Area
20.23
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
1
logP
8.62
Molar Refractivity
133.32
Admin
Created at
-
Updated at
14th Jun 2021