Structure Database (LMSD)

Common Name
Solenolide F
Systematic Name
Synonyms
LM ID
LMPR0104230007
Formula
C22H32O7
Exact Mass
Calculate m/z
408.214805
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]
Briarane diterpenoids [PR010423]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
unclassified Briareum (#2626813)
Anthozoa (#6101)
Solenolides, new antiinflammatory and antiviral diterpenoids from a marine octocoral of the genus Solenopodium,
J Org Chem, 1988

String Representations

InChiKey (Click to copy)
XJQWGBWSOQMBLH-NEQMJZCSSA-N
InChi (Click to copy)
InChI=1S/C22H32O7/c1-11-6-7-16(28-14(4)23)21(5)9-8-15(24)12(2)18(21)19(25)22(27)13(3)20(26)29-17(22)10-11/h8-10,12-13,15-19,24-25,27H,6-7H2,1-5H3/b11-10-/t12-,13-,15+,16-,17-,18+,19-,21+,22-/m0/s1
SMILES (Click to copy)
C1=C[C@@]2(C)[C@@]([H])([C@H](O)[C@]3(O)[C@@H](C)C(=O)O[C@H]3C=C(C)CC[C@@H]2OC(=O)C)[C@@H](C)[C@@H]1O

Other Databases

PubChem CID
171117857

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 3
Aromatic Rings
Rotatable Bonds 2
Van der Waals Molecular Volume 403.05
Topological Polar Surface Area 115.36
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 7
logP 2.93
Molar Refractivity 107.01

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Created at
11th Dec 2023
Updated at
11th Dec 2023