Structure Database (LMSD)
Common Name
(-)-Salvisyriacolide
Systematic Name
Synonyms
3D model of (-)-Salvisyriacolide
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
Level 4 Class
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Salvia syriaca
(#1685717)
Magnoliopsida
(#3398)
Salvisyriacolide, a sesterterpene from Salvia syriaca,
Phytochemistry, 1987
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
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
Admin
Created at
-
Updated at
27th Aug 2024