Erythrodiol-3-caffeate

Base Information

Chemical Name:Erythrodiol-3-caffeate
CAS No.:113493-20-2
Molecular Formula:C₃₉H₅₆O₅
Molecular Weight:604.871
Hs Code.:
UNII:C7LY4E9N7N
Nikkaji Number:J622.947F
Wikidata:Q105183354

Synonyms:erythrodiol-3-caffeate;C7LY4E9N7N;113493-20-2;3beta-(3,4-Dihydroxycinnamoyl)erythrodiol;((3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-(Hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl) (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate;Olean-12-ene-3,28-diol, 3-((2E)-3-(3,4-dihydroxyphenyl)-2-propenoate), (3beta)-;Olean-12-ene-3,28-diol, 3-(3-(3,4-dihydroxyphenyl)-2-propenoate), (3beta(E))-;UNII-C7LY4E9N7N;3.BETA.-(3,4-DIHYDROXYCINNAMOYL)ERYTHRODIOL;OLEAN-12-ENE-3,28-DIOL, 3-((2E)-3-(3,4-DIHYDROXYPHENYL)-2-PROPENOATE), (3.BETA.)-;OLEAN-12-ENE-3,28-DIOL, 3-(3-(3,4-DIHYDROXYPHENYL)-2-PROPENOATE), (3.BETA.(E))-

Suppliers and Price of Erythrodiol-3-caffeate

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
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price

Total 0 raw suppliers

Chemical Property of Erythrodiol-3-caffeate

Chemical Property:

XLogP3:9.5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:604.41277488
Heavy Atom Count:44
Complexity:1180

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC(=O)C=CC6=CC(=C(C=C6)O)O)C)C)C2C1)C)CO)C
Isomeric SMILES:C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)CO)C)C)(C)C)OC(=O)/C=C/C6=CC(=C(C=C6)O)O

Technology Process of Erythrodiol-3-caffeate

There total 5 articles about Erythrodiol-3-caffeate 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: 91.0%

: C₅₇H₉₈O₅Si₃

: 113493-20-2
3β-(3,4-dihydroxycinnamoyl)erythrodiol

Guidance literature:: With (1S)-10-camphorsulfonic acid; In methanol; at 20 ℃; for 4h;
DOI:10.1002/cmdc.201800352

Reference yield:

: 508-02-1
Oleanolic acid

: 113493-20-2
3β-(3,4-dihydroxycinnamoyl)erythrodiol

Guidance literature:: Multi-step reaction with 4 steps

1: lithium aluminium tetrahydride / tetrahydrofuran / 1 h / Reflux

2: 1H-imidazole / N,N-dimethyl-formamide / 6 h / 20 °C

3: dicyclohexyl-carbodiimide; dmap / tetrahydrofuran; dichloromethane / 0 - 20 °C

4: (1S)-10-camphorsulfonic acid / methanol / 4 h / 20 °C

With 1H-imidazole; dmap; lithium aluminium tetrahydride; (1S)-10-camphorsulfonic acid; dicyclohexyl-carbodiimide; In tetrahydrofuran; methanol; dichloromethane; N,N-dimethyl-formamide;
DOI:10.1002/cmdc.201800352

Reference yield:

: 331-39-5,501-16-6
caffeic acid

: 113493-20-2
3β-(3,4-dihydroxycinnamoyl)erythrodiol

Guidance literature:: Multi-step reaction with 3 steps

1.1: 1H-imidazole / 6 h / 20 °C

1.2: 1 h / 20 °C

2.1: dicyclohexyl-carbodiimide; dmap / tetrahydrofuran; dichloromethane / 0 - 20 °C

3.1: (1S)-10-camphorsulfonic acid / methanol / 4 h / 20 °C

With 1H-imidazole; dmap; (1S)-10-camphorsulfonic acid; dicyclohexyl-carbodiimide; In tetrahydrofuran; methanol; dichloromethane;
DOI:10.1002/cmdc.201800352