Structure Database (LMSD)
Common Name
sarmentogenin
Systematic Name
3β,11α,14-trihydroxy-5β-card-20(22)-enolide
Synonyms
- 11-alpha-Hydroxydigitoxigenin
LM ID
LMST01120024
Formula
Exact Mass
Calculate m/z
388.26136
Sum Composition
Status
Active
No other lipid differing only in stereochemistry/bond geometry found
3D model of sarmentogenin
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
String Representations
InChiKey (Click to copy)
CTQXLIFPKAKNFP-SBWCPZHBSA-N
InChi (Click to copy)
InChI=1S/C24H36O4/c1-22-9-7-17(26)12-15(22)4-6-19-21(22)20(27)13-23(2)18(8-10-24(19,23)28)14-3-5-16(25)11-14/h11,15,17-21,26-28H,3-10,12-13H2,1-2H3/t15-,17+,18-,19-,20-,21-,22+,23-,24+/m1/s1
SMILES (Click to copy)
C1C[C@]2([H])[C@]([H])([C@H](O)C[C@@]3(C)[C@]2(O)CC[C@]3([H])C2=CC(=O)CC2)[C@@]2(C)CC[C@H](O)C[C@@]12[H]
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
28
Rings
5
Aromatic Rings
0
Rotatable Bonds
1
Van der Waals Molecular Volume
391.84
Topological Polar Surface Area
77.76
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
4
logP
4.24
Molar Refractivity
107.93
Admin
Created at
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Updated at
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