Structure Database (LMSD)

Common Name
30-(-2-(O-2-hydroxy-ethane)-3-hydroxy-propane)-hopane
Systematic Name
Synonyms
LM ID
LMPR04000024
Status
Active
Exact Mass
Calculate m/z
530.469895
Formula


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

Category
Main Class
Sub Class

String Representations

InChiKey (Click to copy)
VATZXSUGJNAQRP-LQYVDQGMSA-N
InChi (Click to copy)
InChI=1S/C35H62O3/c1-24(9-10-25(23-37)38-22-21-36)26-13-18-32(4)27(26)14-19-34(6)29(32)11-12-30-33(5)17-8-16-31(2,3)28(33)15-20-35(30,34)7/h24-30,36-37H,8-23H2,1-7H3/t24?,25?,26?,27?,28?,29?,30?,32-,33-,34+,35+/m0/s1
SMILES (Click to copy)
C1C[C@]2(C)C3[C@](CCC2C(C)(C)C1)(C)[C@]1(C)CCC2C(CC[C@]2(C)C1CC3)C(CCC(CO)OCCO)C

References

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 38
Rings 5
Aromatic Rings 0
Rotatable Bonds 8
Van der Waals Molecular Volume 578.63
Topological Polar Surface Area 49.69
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 9.40
Molar Refractivity 158.74

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Created at
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Updated at
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