Structure Database (LMSD)

Common Name
cis-corossolone
Systematic Name
Synonyms
LM ID
LMPK03000079
Formula
C35H62O6
Exact Mass
Calculate m/z
578.45464
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
Annona muricata (#13337)
Magnoliopsida (#3398)
New cytotoxic monotetrahydrofuran annonaceous acetogenins from Annona muricata.,
J Nat Prod, 2002
Pubmed ID: 11975482

String Representations

InChiKey (Click to copy)
RVFWPTBBKKTQCR-JMMDVVQWSA-N
InChi (Click to copy)
InChI=1S/C35H62O6/c1-3-4-5-6-7-8-9-10-14-17-23-31(37)33-25-26-34(41-33)32(38)24-19-18-22-30(36)21-16-13-11-12-15-20-29-27-28(2)40-35(29)39/h27-28,31-34,37-38H,3-26H2,1-2H3/t28-,31+,32-,33+,34-/m0/s1
SMILES (Click to copy)
C1(CCCCCCCC(=O)CCCC[C@H](O)[C@@H]2CC[C@H]([C@H](O)CCCCCCCCCCCC)O2)C(=O)O[C@@H](C)C=1

Other Databases

PubChem CID
11093061

Calculated Physicochemical Properties

Heavy Atoms 41
Rings 2
Aromatic Rings 0
Rotatable Bonds 26
Van der Waals Molecular Volume 634.16
Topological Polar Surface Area 97.20
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 6
logP 9.73
Molar Refractivity 168.36

Admin

Created at
17th Jun 2020
Updated at
17th Jun 2020