1H,7H-Naphtho(1,8-bc:4,4a-c')difuran-5,10a(8H)-dicarboxylic acid, 10-(acetyloxy)octahydro-3,5-dihydroxy-4-methyl-8-(((2E)-2-methyl-1-oxo-2-butenyl)oxy)-4-((1aR,2S,3aS,6aS,7S,7aS)-3a,6a,7,7a-tetrahydro-6a-hydroxy-7a-methyl-2,7-methanofuro(2,3-b)oxireno(e)oxepin-1a(2H)-yl)-, dimethyl ester, (2aR,3S,4S,4aR,5S,7aS,8R,10R,10aS,10bR)-

Base Information

Chemical Name:1H,7H-Naphtho(1,8-bc:4,4a-c')difuran-5,10a(8H)-dicarboxylic acid, 10-(acetyloxy)octahydro-3,5-dihydroxy-4-methyl-8-(((2E)-2-methyl-1-oxo-2-butenyl)oxy)-4-((1aR,2S,3aS,6aS,7S,7aS)-3a,6a,7,7a-tetrahydro-6a-hydroxy-7a-methyl-2,7-methanofuro(2,3-b)oxireno(e)oxepin-1a(2H)-yl)-, dimethyl ester, (2aR,3S,4S,4aR,5S,7aS,8R,10R,10aS,10bR)-
CAS No.:95507-03-2
Molecular Formula:C₃₅H₄₄O₁₆
Molecular Weight:720.725
Hs Code.:
European Community (EC) Number:619-136-2
DSSTox Substance ID:DTXSID30896892
Mol file:95507-03-2.mol

1H,7H-Naphtho(1,8-bc:4,4a-c')difuran-5,10a(8H)-dicarboxylic acid, 10-(acetyloxy)octahydro-3,5-dihydroxy-4-methyl-8-(((2E)-2-methyl-1-oxo-2-butenyl)oxy)-4-((1aR,2S,3aS,6aS,7S,7aS)-3a,6a,7,7a-tetrahydro-6a-hydroxy-7a-methyl-2,7-methanofuro(2,3-b)oxireno(e)oxepin-1a(2H)-yl)-, dimethyl ester, (2aR,3S,4S,4aR,5S,7aS,8R,10R,10aS,10bR)-

Synonyms:95507-03-2;Dimethyl (4S,5S,6S,7S,8R,11S,12R,14R,15S)-12-acetyloxy-4,7-dihydroxy-6-[(1R,2S,6S,9R,11S)-2-hydroxy-11-methyl-5,7,10-trioxatetracyclo[6.3.1.02,6.09,11]dodec-3-en-9-yl]-6-methyl-14-[(E)-2-methylbut-2-enoyl]oxy-3,9-dioxatetracyclo[6.6.1.01,5.011,15]pentadecane-4,11-dicarboxylate;C35-H44-O16;1H,7H-Naphtho(1,8-bc:4,4a-c')difuran-5,10a(8H)-dicarboxylic acid, 10-(acetyloxy)octahydro-3,5-dihydroxy-4-methyl-8-(((2E)-2-methyl-1-oxo-2-butenyl)oxy)-4-((1aR,2S,3aS,6aS,7S,7aS)-3a,6a,7,7a-tetrahydro-6a-hydroxy-7a-methyl-2,7-methanofuro(2,3-b)oxireno(e)oxepin-1a(2H)-yl)-, dimethyl ester, (2aR,3S,4S,4aR,5S,7aS,8R,10R,10aS,10bR)-;1H,7H-Naphtho[1,8-bc:4,4a-c']difuran-5,10a(8H)-dicarboxylic acid, 10-(acetyloxy)octahydro-3,5-dihydroxy-4-methyl-8-[[(2E)-2-methyl-1-oxo-2-butenyl]oxy]-4-[(1aR,2S,3aS,6aS,7S,7aS)-3a,6a,7,7a-tetrahydro-6a-hydroxy-7a-methyl-2,7-methanofuro[2,3-b]oxireno[e]oxepin-1a(2H)-yl]-, dimethyl ester, (2aR,3S,4S,4aR,5S,7aS,8R,10R,10aS,10bR)-;SCHEMBL5933479;DTXSID30896892

Suppliers and Price of 1H,7H-Naphtho(1,8-bc:4,4a-c')difuran-5,10a(8H)-dicarboxylic acid, 10-(acetyloxy)octahydro-3,5-dihydroxy-4-methyl-8-(((2E)-2-methyl-1-oxo-2-butenyl)oxy)-4-((1aR,2S,3aS,6aS,7S,7aS)-3a,6a,7,7a-tetrahydro-6a-hydroxy-7a-methyl-2,7-methanofuro(2,3-b)oxireno(e)oxepin-1a(2H)-yl)-, dimethyl ester, (2aR,3S,4S,4aR,5S,7aS,8R,10R,10aS,10bR)-

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

American Custom Chemicals Corporation
AZADIRACHTIN B 95.00%
5MG
$ 599.19

Total 5 raw suppliers

Chemical Property of 1H,7H-Naphtho(1,8-bc:4,4a-c')difuran-5,10a(8H)-dicarboxylic acid, 10-(acetyloxy)octahydro-3,5-dihydroxy-4-methyl-8-(((2E)-2-methyl-1-oxo-2-butenyl)oxy)-4-((1aR,2S,3aS,6aS,7S,7aS)-3a,6a,7,7a-tetrahydro-6a-hydroxy-7a-methyl-2,7-methanofuro(2,3-b)oxireno(e)oxepin-1a(2H)-yl)-, dimethyl ester, (2aR,3S,4S,4aR,5S,7aS,8R,10R,10aS,10bR)-

Chemical Property:

Vapor Pressure:5.01E-29mmHg at 25°C
Boiling Point:792.4°C at 760 mmHg
Flash Point:244.8°C
PSA：215.34000
Density:1.51g/cm³
LogP:-0.20310
XLogP3:-0.6
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:16
Rotatable Bond Count:10
Exact Mass:720.26293531
Heavy Atom Count:51
Complexity:1660

Purity/Quality:

99% ^*data from raw suppliers

AZADIRACHTIN B 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC=C(C)C(=O)OC1CC(C2(COC3C2C14COC(C4C(C3O)(C)C56C7CC(C5(O6)C)C8(C=COC8O7)O)(C(=O)OC)O)C(=O)OC)OC(=O)C
Isomeric SMILES:C/C=C(\C)/C(=O)O[C@@H]1C[C@H]([C@]2(CO[C@@H]3[C@H]2C14CO[C@@]([C@@H]4[C@]([C@@H]3O)(C)[C@@]56C7C[C@@H]([C@@]5(O6)C)[C@]8(C=CO[C@H]8O7)O)(C(=O)OC)O)C(=O)OC)OC(=O)C

Technology Process of 1H,7H-Naphtho(1,8-bc:4,4a-c')difuran-5,10a(8H)-dicarboxylic acid, 10-(acetyloxy)octahydro-3,5-dihydroxy-4-methyl-8-(((2E)-2-methyl-1-oxo-2-butenyl)oxy)-4-((1aR,2S,3aS,6aS,7S,7aS)-3a,6a,7,7a-tetrahydro-6a-hydroxy-7a-methyl-2,7-methanofuro(2,3-b)oxireno(e)oxepin-1a(2H)-yl)-, dimethyl ester, (2aR,3S,4S,4aR,5S,7aS,8R,10R,10aS,10bR)-

There total 6 articles about 1H,7H-Naphtho(1,8-bc:4,4a-c')difuran-5,10a(8H)-dicarboxylic acid, 10-(acetyloxy)octahydro-3,5-dihydroxy-4-methyl-8-(((2E)-2-methyl-1-oxo-2-butenyl)oxy)-4-((1aR,2S,3aS,6aS,7S,7aS)-3a,6a,7,7a-tetrahydro-6a-hydroxy-7a-methyl-2,7-methanofuro(2,3-b)oxireno(e)oxepin-1a(2H)-yl)-, dimethyl ester, (2aR,3S,4S,4aR,5S,7aS,8R,10R,10aS,10bR)- 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%

: 122437-48-3,125278-90-2,130932-04-6
23-α,β-acetoxy-22,23-dihydroazadirachtin

: 11141-17-6,95507-03-2
azadirachtin

Guidance literature:: at 175 ℃; for 0.0833333h; under 0.002 Torr;
DOI:10.1016/S0040-4039(00)82888-9

Reference yield: 85.0%

: C₄₁H₅₀O₁₆Se

: 11141-17-6,95507-03-2
azadirachtin

Guidance literature:: With pyridine; dihydrogen peroxide; In 1,2-dichloro-ethane; at 0 ℃; for 0.166667h;
DOI:10.1021/ol7027898

Reference yield: 67.0%

: 167101-22-6
22,23-dihydro-23-β-thiophenoxyazadirachtin

: 11141-17-6,95507-03-2
azadirachtin

Guidance literature:: 22,23-dihydro-23-β-thiophenoxyazadirachtin; With 3,3-dimethyldioxirane; In dichloromethane; at -78 - 20 ℃;

In dichloromethane; toluene; Further stages.; Heating;
DOI:10.1002/anie.200703028