Structure Database (LMSD)

Common Name
Ribosylhopane
Systematic Name
Synonyms
LM ID
LMPR04000028
Formula
C35H60O4
Exact Mass
Calculate m/z
544.44916
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)
AGSPYXOEGPQCDH-DGGLOESNSA-N
InChi (Click to copy)
InChI=1S/C35H60O4/c1-21(9-10-24-28(36)29(37)30(38)39-24)22-13-18-32(4)23(22)14-19-34(6)26(32)11-12-27-33(5)17-8-16-31(2,3)25(33)15-20-35(27,34)7/h21-30,36-38H,8-20H2,1-7H3/t21?,22?,23?,24?,25?,26?,27?,28?,29?,30?,32-,33-,34+,35+/m0/s1
SMILES (Click to copy)
C1C[C@]2(C)C3[C@@](C)(CCC2C(C)(C)C1)[C@]1(C)CCC2C(C(CCC4OC(O)C(O)C4O)C)CC[C@]2(C)C1CC3

Other Databases

PubChem CID
42608335

Calculated Physicochemical Properties

Heavy Atoms 39
Rings 6
Aromatic Rings 0
Rotatable Bonds 4
Van der Waals Molecular Volume 575.06
Topological Polar Surface Area 71.99
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 4
logP 8.48
Molar Refractivity 157.79

Admin

Created at
-
Updated at
-