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Record Information
Version2.0
Created at2022-09-06 22:57:47 UTC
Updated at2022-09-06 22:57:47 UTC
NP-MRD IDNP0239376
Secondary Accession NumbersNone
Natural Product Identification
Common Name(1s,6s,7r,10s,11r,14r,15r,18r,19s)-14-isopropyl-2,2,7,10,15,18-hexamethyl-22,23,24-trioxahexacyclo[19.2.1.0¹,⁶.0⁷,¹⁹.0¹⁰,¹⁸.0¹¹,¹⁵]tetracosane
DescriptionAdian-5-ene ozonide belongs to the class of organic compounds known as oxepanes. Oxepanes are compounds containing an oxepane ring, which is a seven-member saturated aliphatic heterocycle with one oxygen and six carbon atoms. (1s,6s,7r,10s,11r,14r,15r,18r,19s)-14-isopropyl-2,2,7,10,15,18-hexamethyl-22,23,24-trioxahexacyclo[19.2.1.0¹,⁶.0⁷,¹⁹.0¹⁰,¹⁸.0¹¹,¹⁵]tetracosane is found in Aleuritopteris farinosa and Oleandra wallichii. Based on a literature review very few articles have been published on Adian-5-ene ozonide.
Structure
Thumb
SynonymsNot Available
Chemical FormulaC30H50O3
Average Mass458.7270 Da
Monoisotopic Mass458.37600 Da
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry NumberNot Available
SMILES
CC(C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@]1(C)[C@H]3CC4OO[C@@]5(O4)[C@@H](CCCC5(C)C)[C@]3(C)CC[C@@]21C
InChI Identifier
InChI=1S/C30H50O3/c1-19(2)20-11-12-21-26(20,5)14-16-29(8)23-18-24-31-30(33-32-24)22(10-9-13-25(30,3)4)27(23,6)15-17-28(21,29)7/h19-24H,9-18H2,1-8H3/t20-,21-,22+,23+,24?,26-,27+,28+,29-,30+/m1/s1
InChI KeyXZFPIRANKNFFCD-KRRPYQPGSA-N
Experimental Spectra
Not Available
Predicted Spectra
Chemical Shift Submissions
Not Available
Species
Species of Origin
Species NameSourceReference
Aleuritopteris farinosaLOTUS Database
Oleandra wallichiiLOTUS Database
Chemical Taxonomy
Description Belongs to the class of organic compounds known as oxepanes. Oxepanes are compounds containing an oxepane ring, which is a seven-member saturated aliphatic heterocycle with one oxygen and six carbon atoms.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassOxepanes
Sub ClassNot Available
Direct ParentOxepanes
Alternative Parents
Substituents
  • Oxepane
  • 1,2,4-trioxolane
  • Dialkyl peroxide
  • Oxacycle
  • Organic oxygen compound
  • Hydrocarbon derivative
  • Organooxygen compound
  • Aliphatic heteropolycyclic compound
Molecular FrameworkAliphatic heteropolycyclic compounds
External DescriptorsNot Available
Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
HMDB IDNot Available
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDNot Available
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound14544123
PDB IDNot Available
ChEBI IDNot Available
Good Scents IDNot Available
References
General References
  1. LOTUS database [Link]