(3S,10R,13S,17R)-17-(3,3-Dimethoxypropyl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[A]phenanthrene-3,17-diol

Base Information

Chemical Name:(3S,10R,13S,17R)-17-(3,3-Dimethoxypropyl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[A]phenanthrene-3,17-diol
CAS No.:6979-10-8
Molecular Formula:C24H40O4
Molecular Weight:392.572
Hs Code.:
DSSTox Substance ID:DTXSID10703499
Mol file:6979-10-8.mol

(3S,10R,13S,17R)-17-(3,3-Dimethoxypropyl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[A]phenanthrene-3,17-diol

Synonyms:6979-10-8;DTXSID10703499;(3S,10R,13S,17R)-17-(3,3-DIMETHOXYPROPYL)-10,13-DIMETHYL-2,3,4,7,8,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHRENE-3,17-DIOL;(3S,10R,13S,17R)-17-(3,3-Dimethoxypropyl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol (non-preferred name)

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

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Chemical Property of (3S,10R,13S,17R)-17-(3,3-Dimethoxypropyl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[A]phenanthrene-3,17-diol

Chemical Property:

PSA：58.92000
LogP:4.44030
XLogP3:4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:392.29265975
Heavy Atom Count:28
Complexity:614

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC12CCC(CC1=CCC3C2CCC4(C3CCC4(CCC(OC)OC)O)C)O
Isomeric SMILES:C[C@]12CC[C@@H](CC1=CCC3C2CC[C@]4(C3CC[C@]4(CCC(OC)OC)O)C)O

Technology Process of (3S,10R,13S,17R)-17-(3,3-Dimethoxypropyl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[A]phenanthrene-3,17-diol

There total 5 articles about (3S,10R,13S,17R)-17-(3,3-Dimethoxypropyl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[A]phenanthrene-3,17-diol 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:

: 7082-65-7
3-(3β,17β-Diacetoxy-androst-5-en-17α-yl)-propionaldehyd-dimethylacetal

: 6979-10-8
3-(3β,17β-Dihydroxy-androst-5-en-17α-yl)-propionaldehyd-dimethylacetal

Guidance literature:: With potassium hydroxide; In methanol; Heating;
DOI:10.1021/jo01345a012

Reference yield:

: 3-<3β,17β-Diacetoxy-androst-5-en-17α-yl)-propanol

: 6979-10-8
3-(3β,17β-Dihydroxy-androst-5-en-17α-yl)-propionaldehyd-dimethylacetal

Guidance literature:: Multi-step reaction with 3 steps

1: CrO₃ / pyridine

2: TsOH

3: aq. KOH / methanol / Heating

With chromium(VI) oxide; potassium hydroxide; toluene-4-sulfonic acid; In pyridine; methanol;
DOI:10.1021/jo01345a012

Reference yield:

: 7139-17-5
3-(3β,17β-Diacetoxy-androst-5-en-17α-yl)-propionaldehyd

: 6979-10-8
3-(3β,17β-Dihydroxy-androst-5-en-17α-yl)-propionaldehyd-dimethylacetal

Guidance literature:: Multi-step reaction with 2 steps

1: TsOH

2: aq. KOH / methanol / Heating

With potassium hydroxide; toluene-4-sulfonic acid; In methanol;
DOI:10.1021/jo01345a012