Structure Database (LMSD)
Common Name
3Beta-Hydroxylissoclimide
Systematic Name
Synonyms
LM ID
LMPR0104030034
Formula
C20H30NO5Cl
Exact Mass
Calculate m/z
399.181252
Status
Active
3D model of 3Beta-Hydroxylissoclimide
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
Lissoclinum sp.
(#3159528)
Ascidiacea
(#7713)
Cytotoxic lissoclimide-type diterpenes from the molluscs Pleurobranchusalbiguttatus and Pleurobranchus forskalii.,
J Nat Prod, 2004
J Nat Prod, 2004
Pubmed ID:
15332867
String Representations
InChiKey (Click to copy)
UACZEBODXTXUMI-VVHTYQJQSA-N
InChi (Click to copy)
InChI=1S/C20H30ClNO5/c1-9-11(6-14(24)10-5-16(25)22-18(10)27)20(4)8-12(21)17(26)19(2,3)15(20)7-13(9)23/h10-15,17,23-24,26H,1,5-8H2,2-4H3,(H,22,25,27)/t10-,11+,12-,13+,14+,15+,17+,20-/m1/s1
SMILES (Click to copy)
C1[C@@H](Cl)[C@H](O)C(C)(C)[C@@]2(C[C@H](O)C(=C)[C@H](C[C@H](O)[C@]3([H])C(=O)NC(=O)C3)[C@@]12C)[H]
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
27
Rings
3
Aromatic Rings
Rotatable Bonds
3
Van der Waals Molecular Volume
379.72
Topological Polar Surface Area
106.86
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
6
logP
2.50
Molar Refractivity
102.83
Admin
Created at
17th Oct 2024
Updated at
17th Oct 2024