CID 9911823

Base Information

Chemical Name:CID 9911823
CAS No.:35959-05-8
Molecular Formula:C30H46O3
Molecular Weight:454.68400
Hs Code.:
DSSTox Substance ID:DTXSID201345704
Mol file:35959-05-8.mol

Synonyms:3-Hydroxy-11-ursen-28,13-olide;35959-05-8;DTXSID201345704;AKOS032962120;FS-9802;NCGC00380944-01;NCGC00380944-01_C30H46O3_(3beta,5xi,9xi,13alpha,17alpha,18xi)-3-Hydroxy-13,28-epoxyurs-11-en-28-one

Suppliers and Price of CID 9911823

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

Crysdot
3-Hydroxy-11-ursen-28,13-olide 95+%
5mg
$ 730.00

Arctom
3-Hydroxy-11-ursen-28,13-olide ≥98%
5mg
$ 463.00

Total 15 raw suppliers

Chemical Property of CID 9911823

Chemical Property:

PSA：46.53000
LogP:6.54020
XLogP3:7.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:0
Exact Mass:454.34469533
Heavy Atom Count:33
Complexity:922

Purity/Quality:

97% ^*data from raw suppliers

3-Hydroxy-11-ursen-28,13-olide 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1CCC23CCC4(C5(CCC6C(C(CCC6(C5C=CC4(C2C1C)OC3=O)C)O)(C)C)C)C
Isomeric SMILES:C[C@@H]1CC[C@]23CC[C@]4([C@@]5(CCC6[C@@](C5C=C[C@@]4(C2[C@H]1C)OC3=O)(CC[C@@H](C6(C)C)O)C)C)C

Technology Process of CID 9911823

There total 6 articles about CID 9911823 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: 100.0%

: 3β-hydroxy-11α-methoxy-urs-12-en-28-oic acid

: 35959-05-8
3β-hydroxy-urs-11-en-13(28)-olide

Guidance literature:: With silica gel; In chloroform; for 2h; Heating;

Reference yield: 66.0%

: 77-52-1
ursolic acid

: 35959-05-8
ursolic acid lactone

Guidance literature:: With potassium hydroxide; In tert-butyl alcohol; at 70 - 75 ℃; for 12h;
DOI:10.1007/BF00758617

Reference yield: 35.0%

: 77-52-1
ursolic acid

: 877822-88-3
11α-hydroxyursolic acid

: 90663-06-2
3β-hydroxyurs-9(11),12-dien-28-oic acid

: 105870-59-5
11-keto-ursolic acid

: 128807-18-1
3β-hydroxy-urs-11,13(18)-dien-28-oic acid

: 35959-05-8
ursolic acid lactone

Guidance literature:: With 2,6-dichloropyridine N-oxide; Ru(CO)(C₄₅H₂₈N₄O₂); hydrogen bromide; In water; N,N-dimethyl-formamide; at 50 ℃; for 72h; Inert atmosphere; Molecular sieve;
DOI:10.1016/j.tetlet.2012.01.107