Structure Database (LMSD)
Common Name
2-methyl-hopane-17beta,21beta-homohopanol
Systematic Name
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of 2-methyl-hopane-17beta,21beta-homohopanol
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
String Representations
InChiKey (Click to copy)
FTXJLYQOMVYDFG-BAEAMZJOSA-N
InChi (Click to copy)
InChI=1S/C32H56O/c1-21-19-28(3,4)25-13-17-32(8)27(30(25,6)20-21)10-9-26-29(5)15-11-23(22(2)14-18-33)24(29)12-16-31(26,32)7/h21-27,33H,9-20H2,1-8H3/t21?,22?,23?,24?,25?,26?,27?,29-,30-,31+,32+/m0/s1
SMILES (Click to copy)
C1(C)C[C@@]2(C3CCC4[C@]5(C)C([H])(CC[C@@]4(C)[C@]3(C)CCC2C(C1)(C)C)C(C(C)CCO)CC5)C
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
33
Rings
5
Aromatic Rings
0
Rotatable Bonds
3
Van der Waals Molecular Volume
509.15
Topological Polar Surface Area
20.23
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
1
logP
9.03
Molar Refractivity
140.35
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Created at
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Updated at
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