Structure Database (LMSD)

Common Name
(-)-13(16),14-Spongiadiene
Systematic Name
Synonyms
LM ID
LMPR0104110003
Status
Active
Exact Mass
Calculate m/z
286.229665
Formula
C20H30O
Show lipids differing only in stereochemistry/bond geometry
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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
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C20 isoprenoids (diterpenes) [PR0104]
Isocopalane and spongiane diterpenoids [PR010411]

String Representations

InChiKey (Click to copy)
YMOPWLIPDPZTLZ-LYKJFQGKSA-N
InChi (Click to copy)
InChI=1S/C20H30O/c1-18(2)9-5-10-20(4)16(18)8-11-19(3)15-13-21-12-14(15)6-7-17(19)20/h12-13,16-17H,5-11H2,1-4H3/t16-,17?,19-,20-/m0/s1
SMILES (Click to copy)
C1CC[C@]2(C)C3CCC4=COC=C4[C@]3(C)CC[C@@]2([H])C1(C)C

References

Other Databases

PubChem CID
497952

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 4
Aromatic Rings 1
Rotatable Bonds 0
Van der Waals Molecular Volume 297.73
Topological Polar Surface Area 13.14
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 5.73
Molar Refractivity 86.33

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Created at
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Updated at
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