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Record Information
Version2.0
Created at2022-09-12 03:07:05 UTC
Updated at2022-09-12 03:07:06 UTC
NP-MRD IDNP0323592
Secondary Accession NumbersNone
Natural Product Identification
Common Name4-[(3r,3as,5ar,5br,7as,11ar,11br,13ar,13bs)-5a,5b,8,8,11a,13b-hexamethyl-1h,2h,3h,3ah,4h,5h,7ah,9h,10h,11h,11bh,12h,13h,13ah-cyclopenta[a]chrysen-3-yl]pentan-1-ol
DescriptionHopa-6-ene-29-ethanol belongs to the class of organic compounds known as hopanoids. These are terpenoids containing hopane skeleton(A'-Neogammacerane), a pentacyclic structure with four cyclohexane rings and one cyclopentane ring (and often, a side chain emerging from C30). 4-[(3r,3as,5ar,5br,7as,11ar,11br,13ar,13bs)-5a,5b,8,8,11a,13b-hexamethyl-1h,2h,3h,3ah,4h,5h,7ah,9h,10h,11h,11bh,12h,13h,13ah-cyclopenta[a]chrysen-3-yl]pentan-1-ol is found in Streptomyces coelicolor. Based on a literature review very few articles have been published on Hopa-6-ene-29-ethanol.
Structure
Thumb
SynonymsNot Available
Chemical FormulaC32H54O
Average Mass454.7830 Da
Monoisotopic Mass454.41747 Da
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry NumberNot Available
SMILES
CC(CCCO)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3C=C[C@@]12C
InChI Identifier
InChI=1S/C32H54O/c1-22(10-8-21-33)23-13-18-29(4)24(23)14-19-31(6)26(29)11-12-27-30(5)17-9-16-28(2,3)25(30)15-20-32(27,31)7/h15,20,22-27,33H,8-14,16-19,21H2,1-7H3/t22?,23-,24+,25+,26-,27-,29+,30+,31-,32-/m1/s1
InChI KeyVXEJZIAQQHPIHP-BPLMESIISA-N
Experimental Spectra
Not Available
Predicted Spectra
Not Available
Chemical Shift Submissions
Not Available
Species
Species of Origin
Species NameSourceReference
Streptomyces coelicolorLOTUS Database
Chemical Taxonomy
Description Belongs to the class of organic compounds known as hopanoids. These are terpenoids containing hopane skeleton(A'-Neogammacerane), a pentacyclic structure with four cyclohexane rings and one cyclopentane ring (and often, a side chain emerging from C30).
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassPrenol lipids
Sub ClassHopanoids
Direct ParentHopanoids
Alternative Parents
Substituents
  • Triterpenoid
  • Hopane-skeleton
  • 24-hydroxysteroid
  • Steroid
  • Delta-1-steroid
  • Organic oxygen compound
  • Hydrocarbon derivative
  • Primary alcohol
  • Organooxygen compound
  • Alcohol
  • Aliphatic homopolycyclic compound
Molecular FrameworkAliphatic homopolycyclic 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 ID78436347
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound101012596
PDB IDNot Available
ChEBI IDNot Available
Good Scents IDNot Available
References
General References
  1. LOTUS database [Link]