Structure Database (LMSD)

Common Name
(-)-Salvisyriacolide
Systematic Name
Synonyms
LM ID
LMPR0105040002
Formula
C25H40O6
Exact Mass
Calculate m/z
436.28249
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C25 isoprenoids (sesterterpenes) [PR0105]
Bicyclic sesterterpenoids [PR010504]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Salvia syriaca (#1685717)
Magnoliopsida (#3398)
Salvisyriacolide, a sesterterpene from Salvia syriaca,
Phytochemistry, 1987

String Representations

InChiKey (Click to copy)
WCXUHQRLXBOHIU-KBVCWONTSA-N
InChi (Click to copy)
InChI=1S/C25H40O6/c1-15(6-8-18-16(2)12-21(29)31-18)7-9-19-23(3)11-10-20(28)24(4,14-26)22(23)17(27)13-25(19,5)30/h6,12,17-20,22,26-28,30H,7-11,13-14H2,1-5H3/b15-6+/t17-,18?,19+,20+,22+,23+,24-,25+/m0/s1
SMILES (Click to copy)
C1C[C@]2(C)[C@@H](CC/C(/C)=C/CC3OC(=O)C=C3C)[C@](C)(O)C[C@H](O)[C@@]2([H])[C@@](C)(CO)[C@@H]1O

Other Databases

PubChem CID
42608278

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 3
Aromatic Rings 0
Rotatable Bonds 6
Van der Waals Molecular Volume 448.80
Topological Polar Surface Area 109.29
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 6
logP 4.31
Molar Refractivity 120.55

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Created at
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Updated at
27th Aug 2024