Structure Database (LMSD)
Common Name
24R-Ethyl-26,26,27-trimethyl-3beta-hydroxycholesta-7,26-(30)-diene
Systematic Name
26,27-dimethyl-26-methylene-5α-stigmast-7-en-3β-ol
Synonyms
- 24R-ethyl-26-methylene-26,27-dimethyl-cholest-7-en-3beta-ol
3D model of 24R-Ethyl-26,26,27-trimethyl-3beta-hydroxycholesta-7,26-(30)-diene
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
Reference
Marine Sterols
R. G. Kerr and B. J. Baker
Marine sterols. Nat. Prod. Rep. 8, 465-497
R. G. Kerr and B. J. Baker
Marine sterols. Nat. Prod. Rep. 8, 465-497
String Representations
InChiKey (Click to copy)
DKQVQUXYUJYSOV-BBSSGLBRSA-N
InChi (Click to copy)
InChI=1S/C32H54O/c1-8-23(26(9-2)21(3)4)11-10-22(5)28-14-15-29-27-13-12-24-20-25(33)16-18-31(24,6)30(27)17-19-32(28,29)7/h13,22-26,28-30,33H,3,8-12,14-20H2,1-2,4-7H3/t22-,23-,24+,25+,26?,28-,29+,30+,31+,32-/m1/s1
SMILES (Click to copy)
C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@]([H])(C)CC[C@@H](CC)C(CC)C(C)=C)CC[C@@]4([H])C3=CC[C@@]2([H])C[C@@H](O)C1
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
33
Rings
4
Aromatic Rings
0
Rotatable Bonds
8
Van der Waals Molecular Volume
516.23
Topological Polar Surface Area
20.23
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
1
logP
9.26
Molar Refractivity
142.49
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Created at
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Updated at
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