Structure Database (LMSD)

Common Name
2-methyl-hopane-17beta,21beta-homohopanol
Systematic Name
Synonyms
LM ID
LMPR04000029
Formula
C32H56O
Exact Mass
Calculate m/z
456.433115
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Prenol Lipids [PR]
Hopanoids [PR04]

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
42608336

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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