Structure Database (LMSD)

Common Name
Desacetyluvaricin
Systematic Name
Synonyms
LM ID
LMPK03000014
Formula
C37H66O6
Exact Mass
Calculate m/z
606.48594
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Annonaceae acetogenins [PK03]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Uvaria acuminata (#672960)
Magnoliopsida (#3398)
Desacetyluvaricin from Uvaria accuminata, configuration of uvaricin at C-36.,
J Nat Prod, 1985
Pubmed ID: 3840199

String Representations

InChiKey (Click to copy)
URLVCROWVOSNPT-KNOBDPTQSA-N
InChi (Click to copy)
InChI=1S/C37H66O6/c1-3-4-5-6-7-13-16-19-22-31(38)33-24-26-35(42-33)36-27-25-34(43-36)32(39)23-20-17-14-11-9-8-10-12-15-18-21-30-28-29(2)41-37(30)40/h28-29,31-36,38-39H,3-27H2,1-2H3/t29-,31?,32?,33?,34?,35?,36?/m0/s1
SMILES (Click to copy)
C1C(C2OC(C(O)CCCCCCCCCCCCC3C(=O)O[C@@H](C)C=3)CC2)OC(C(O)CCCCCCCCCC)C1

Other Databases

PubChem CID
171120034

Calculated Physicochemical Properties

Heavy Atoms 43
Rings 3
Aromatic Rings 0
Rotatable Bonds 25
Van der Waals Molecular Volume 659.04
Topological Polar Surface Area 91.43
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 6
logP 10.89
Molar Refractivity 177.66

Admin

Created at
6th Jun 2020
Updated at
6th Jun 2020