Structure Database (LMSD)

Common Name
(-)-Reiswigin A
Systematic Name
(-)-3-sphenoloben-5,16-dione
Synonyms
LM ID
LMPR0104530002
Formula
C20H32O2
Exact Mass
Calculate m/z
304.24023
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C20 isoprenoids (diterpenes) [PR0104]
Sphenolobane diterpenoids [PR010453]

String Representations

InChiKey (Click to copy)
HMQKHBRCNQTKFX-NHAYFPRASA-N
InChi (Click to copy)
InChI=1S/C20H32O2/c1-13(2)6-9-18(21)15(4)16-10-11-20(5)17(16)8-7-14(3)12-19(20)22/h12-13,15-17H,6-11H2,1-5H3/t15-,16+,17+,20-/m1/s1
SMILES (Click to copy)
[C@@]12([H])CCC(C)=CC(=O)[C@]1(C)CC[C@H]2[C@@H](C)C(=O)CCC(C)C

Other Databases

PubChem CID
42608269

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 2
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 339.50
Topological Polar Surface Area 34.14
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 4.97
Molar Refractivity 90.56

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Updated at
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