Structure Database (LMSD)

Common Name
Sugeonyl acetate
Systematic Name
8S-acetoxy-1,4R,9,9-tetramethyl-3,4,5,6,7,8-hexahydro-3a(R),7-methanoazulen-2-one
Synonyms
LM ID
LMPR0103450004
Formula
C17H24O3
Exact Mass
Calculate m/z
276.172545
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C15 isoprenoids (sesquiterpenes) [PR0103]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Cyperus rotundus (#512623)
Magnoliopsida (#3398)
Structure and absolute configuration of sugeonol.,
Chem. Pharm. Bull., 1968

String Representations

InChiKey (Click to copy)
FHGRIGPOCXOGPU-BSMYWONQSA-N
InChi (Click to copy)
InChI=1S/C17H24O3/c1-9-6-7-12-15(20-11(3)18)14-10(2)13(19)8-17(9,14)16(12,4)5/h9,12,15H,6-8H2,1-5H3/t9-,12-,15+,17+/m1/s1
SMILES (Click to copy)
[C@]123C(C)(C)[C@H](CC[C@H]1C)[C@H](OC(C)=O)C2=C(C)C(=O)C3

Other Databases

PubChem CID
52929817

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 3
Aromatic Rings 0
Rotatable Bonds 2
Van der Waals Molecular Volume 284.03
Topological Polar Surface Area 43.37
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 3
logP 3.57
Molar Refractivity 76.49

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Updated at
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