Structure Database (LMSD)

Common Name
30,32-dihydroxy-2b-methyl-bishomohopane
Systematic Name
Synonyms
LM ID
LMPR04000026
Formula
C33H58O2
Exact Mass
Calculate m/z
486.44368
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)
AXPDPPZFZBKPKA-VJCYSTHDSA-N
InChi (Click to copy)
InChI=1S/C33H58O2/c1-21-19-29(3,4)26-13-17-33(8)28(31(26,6)20-21)10-9-27-30(5)15-11-23(22(2)25(35)14-18-34)24(30)12-16-32(27,33)7/h21-28,34-35H,9-20H2,1-8H3/t21-,22?,23?,24?,25?,26?,27?,28?,30+,31+,32-,33-/m1/s1
SMILES (Click to copy)
C1C(C)(C)C2CC[C@@]3(C)[C@@]4(CCC5[C@@](C)(C4CCC3[C@@]2(C)C[C@@H]1C)CCC5C(C)C(O)CCO)C

Other Databases

PubChem CID
42608333

Calculated Physicochemical Properties

Heavy Atoms 35
Rings 5
Aromatic Rings 0
Rotatable Bonds 4
Van der Waals Molecular Volume 535.24
Topological Polar Surface Area 40.46
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 8.67
Molar Refractivity 146.87

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Created at
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Updated at
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