methyl (1R,4aR,4bR,7S,8S,10aR)-7,8-dihydroxy-1,4a-dimethyl-7-propan-2-yl-3,4,4b,5,6,8,10,10a-octahydro-2H-phenanthrene-1-carboxylate

Base Information

Chemical Name:methyl (1R,4aR,4bR,7S,8S,10aR)-7,8-dihydroxy-1,4a-dimethyl-7-propan-2-yl-3,4,4b,5,6,8,10,10a-octahydro-2H-phenanthrene-1-carboxylate
CAS No.:22552-63-2
Molecular Formula:C₂₁H₃₄O₄
Molecular Weight:350.499
Hs Code.:
ChEMBL ID:CHEMBL4075541
DSSTox Substance ID:DTXSID501100882
Nikkaji Number:J2.520.887K

Synonyms:CHEMBL4075541;DTXSID501100882;22552-63-2;Methyl (1R,4aR,4bR,7S,8S,10aR)-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydro-7,8-dihydroxy-1,4a-dimethyl-7-(1-methylethyl)-1-phenanthrenecarboxylate

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Supply Marketing:

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

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Chemical Property of methyl (1R,4aR,4bR,7S,8S,10aR)-7,8-dihydroxy-1,4a-dimethyl-7-propan-2-yl-3,4,4b,5,6,8,10,10a-octahydro-2H-phenanthrene-1-carboxylate

Chemical Property:

XLogP3:3.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:350.24570956
Heavy Atom Count:25
Complexity:582

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C)C1(CCC2C(=CCC3C2(CCCC3(C)C(=O)OC)C)C1O)O
Isomeric SMILES:CC(C)[C@]1(CC[C@H]2C(=CC[C@@H]3[C@@]2(CCC[C@@]3(C)C(=O)OC)C)[C@@H]1O)O

Technology Process of methyl (1R,4aR,4bR,7S,8S,10aR)-7,8-dihydroxy-1,4a-dimethyl-7-propan-2-yl-3,4,4b,5,6,8,10,10a-octahydro-2H-phenanthrene-1-carboxylate

There total 2 articles about methyl (1R,4aR,4bR,7S,8S,10aR)-7,8-dihydroxy-1,4a-dimethyl-7-propan-2-yl-3,4,4b,5,6,8,10,10a-octahydro-2H-phenanthrene-1-carboxylate 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: 27.0%

: 127-25-3
methyl abietate

: 22552-63-2,27853-96-9,82652-60-6,106540-59-4,118238-65-6
methyl 13α,14α-dihydroxy-abiet-7-en-18-oate

: 55154-40-0,55177-17-8
methyl 13α,14α-epoxyabiet-7-en-18-oate

: 55154-40-0,55177-17-8
methyl 13β,14β-epoxyabiet-7-en-18-oate

: 86788-23-0,86788-25-2
methyl 7α,13β-dihydroxyabiet-8(14)-en-18-oate

Guidance literature:: With 3-chloro-benzenecarboperoxoic acid; In tetrahydrofuran; water; at 0 ℃; for 36h; Further byproducts given;
DOI:10.1016/S0040-4020(01)87456-1

Reference yield: 27.0%

: 127-25-3
methyl abietate

: 55154-40-0,55177-17-8
methyl 13α,14α-epoxyabiet-7-en-18-oate

: 55154-40-0,55177-17-8
methyl 13β,14β-epoxyabiet-7-en-18-oate

: 22552-63-2,27853-96-9,82652-60-6,106540-59-4,118238-65-6
methyl 13β,14α-dihydroxy-abiet-7-en-18-oate

: 86788-23-0,86788-25-2
methyl 7α,13β-dihydroxyabiet-8(14)-en-18-oate

Guidance literature:: With 3-chloro-benzenecarboperoxoic acid; In tetrahydrofuran; water; at 0 ℃; for 36h; Further byproducts given;
DOI:10.1016/S0040-4020(01)87456-1