Heraclenol

Base Information

Chemical Name:Heraclenol
CAS No.:31575-93-6
Molecular Formula:C₁₆H₁₆O₆
Molecular Weight:304.299
Hs Code.:
UNII:9WSY53477L
DSSTox Substance ID:DTXSID60185468
Nikkaji Number:J64.886H
Wikidata:Q3785098
Metabolomics Workbench ID:122669
ChEMBL ID:CHEMBL1173444
Mol file:31575-93-6.mol

Synonyms:heraclenol

Suppliers and Price of Heraclenol

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

DC Chemicals
Heraclenol >98%,StandardReferencesGrade
20 mg
$ 280.00

Crysdot
Heraclenol 95+%
5mg
$ 350.00

ChemScene
Heraclenol
5mg
$ 1143.00

ChemScene
Heraclenol
1mg
$ 381.00

Arctom
Heraclenol
5mg
$ 223.00

Arctom
Heraclenol ≥98%
5mg
$ 102.00

American Custom Chemicals Corporation
HERACLENOL 95.00%
5MG
$ 497.65

Total 27 raw suppliers

Chemical Property of Heraclenol

Chemical Property:

Vapor Pressure:1.12E-12mmHg at 25°C
Melting Point:129-130 °C
Boiling Point:544.3°Cat760mmHg
PKA:13.75±0.20(Predicted)
Flash Point:283°C
PSA：93.04000
Density:1.386g/cm³
LogP:2.04980
Storage Temp.:2-8°C
XLogP3:1.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:304.09468823
Heavy Atom Count:22
Complexity:460

Purity/Quality:

HPLC≥98% ^*data from raw suppliers

Heraclenol >98%,StandardReferencesGrade ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C(COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)O)O
Isomeric SMILES:CC(C)([C@@H](COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)O)O

Technology Process of Heraclenol

There total 4 articles about Heraclenol which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 1.0%

: 482-44-0
imperatorin

: 31575-93-6,118407-74-2,139079-42-8,26091-76-9,2817-09-6
heraclenol

: 484-20-8
bergapten

: 1428263-43-7
C₁₆H₂₀O₇

: 1428263-44-8
C₁₇H₂₂O₇

: 1428263-45-9
C₁₆H₁₈O₆

: 1428263-47-1
C₁₆H₁₈O₆

: 1428417-34-8
C₁₇H₂₀O₆

: 1428263-46-0
C₁₆H₂₀O₆

: 1428417-33-7
C₁₆H₁₈O₆

: 6,7-furano-5-isopentylcoumarin 8-O-β-D-glucoside

Guidance literature:: With Penicillium janthinellum AS; liquid potato medium; In acetone; at 27 ℃; for 120h; Microbiological reaction;
DOI:10.1016/j.foodchem.2012.11.138