Structure Database (LMSD)

Common Name
(-)-Asbestinine 2
Systematic Name
Synonyms
LM ID
LMPR0104210004
Status
Active
Exact Mass
Calculate m/z
476.31379
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

String Representations

InChiKey (Click to copy)
CCQWAVHYCCPOEQ-CCRBKCMOSA-N
InChi (Click to copy)
InChI=1S/C28H44O6/c1-7-9-22(29)33-21-12-11-16(3)13-20-25-24-19(14-17(4)26(25)34-23(30)10-8-2)18(5)15-31-28(21,6)27(24)32-20/h11,17-21,24-27H,7-10,12-15H2,1-6H3/b16-11-/t17-,18+,19+,20+,21?,24+,25+,26-,27+,28+/m1/s1
SMILES (Click to copy)
[C@H]1(C)[C@@H](OC(CCC)=O)[C@@]2([H])[C@H]3O[C@@H]4[C@](OC[C@H](C)[C@@]([H])([C@@]24[H])C1)(C)C(OC(CCC)=O)CC=C(C)C3

References

Other Databases

CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 34
Rings 4
Aromatic Rings 0
Rotatable Bonds 8
Van der Waals Molecular Volume 488.34
Topological Polar Surface Area 75.20
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 6
logP 6.95
Molar Refractivity 132.05

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Created at
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Updated at
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