(1S,4R,9R,10S,13R,14R)-14-Hydroxy-14-(hydroxymethyl)-5,5,9-trimethyltetracyclo[11.2.1.01,10.04,9]hexadecan-6-one

Base Information

Chemical Name:(1S,4R,9R,10S,13R,14R)-14-Hydroxy-14-(hydroxymethyl)-5,5,9-trimethyltetracyclo[11.2.1.01,10.04,9]hexadecan-6-one
CAS No.:38602-53-8
Molecular Formula:C₂₀H₃₂O₃
Molecular Weight:320.472
Hs Code.:
DSSTox Substance ID:DTXSID701317302
Metabolomics Workbench ID:155935
Nikkaji Number:J19.383F
Wikidata:Q105169437
Mol file:38602-53-8.mol

Synonyms:calliterpenone

Suppliers and Price of (1S,4R,9R,10S,13R,14R)-14-Hydroxy-14-(hydroxymethyl)-5,5,9-trimethyltetracyclo[11.2.1.01,10.04,9]hexadecan-6-one

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

Total 20 raw suppliers

Chemical Property of (1S,4R,9R,10S,13R,14R)-14-Hydroxy-14-(hydroxymethyl)-5,5,9-trimethyltetracyclo[11.2.1.01,10.04,9]hexadecan-6-one

Chemical Property:

PSA：57.53000
LogP:3.32160
XLogP3:3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:320.23514488
Heavy Atom Count:23
Complexity:541

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1(C2CCC34CC(CCC3C2(CCC1=O)C)C(C4)(CO)O)C
Isomeric SMILES:C[C@]12CCC(=O)C([C@@H]1CC[C@]34[C@@H]2CC[C@H](C3)[C@](C4)(CO)O)(C)C

Technology Process of (1S,4R,9R,10S,13R,14R)-14-Hydroxy-14-(hydroxymethyl)-5,5,9-trimethyltetracyclo[11.2.1.01,10.04,9]hexadecan-6-one

There total 10 articles about (1S,4R,9R,10S,13R,14R)-14-Hydroxy-14-(hydroxymethyl)-5,5,9-trimethyltetracyclo[11.2.1.01,10.04,9]hexadecan-6-one 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: 38.0%

: 548486-51-7
(16R)-16,17-epoxy-ent-kauran-3-one

: 38602-53-8,131830-94-9,135683-73-7,16836-28-5
(16R)-16,17-dihydroxy-ent-kauran-3-one

: 16836-28-5,38602-53-8,131830-94-9,135683-73-7
ent-16,17-dihydroxy-16β-kauran-3-one

: (16R)-3-oxo-ent-kauran-17-al

: 17-hydroxy-ent-kaur-15-en-3-one

Guidance literature:: With sulfuric acid; In tetrahydrofuran; water; at 20 ℃; Further byproducts given;
DOI:10.1002/hlca.200390043

Reference yield: 38.0%

: 548486-51-7
(16R)-16,17-epoxy-ent-kauran-3-one

: 38602-53-8,131830-94-9,135683-73-7,16836-28-5
(16R)-16,17-dihydroxy-ent-kauran-3-one

: 16836-28-5,38602-53-8,131830-94-9,135683-73-7
ent-16,17-dihydroxy-16β-kauran-3-one

: (16R)-3-oxo-ent-kauran-17-al

: 17-hydroxy-ent-kaur-15-en-3-one

Guidance literature:: With sulfuric acid; In tetrahydrofuran; water; at 20 ℃; Further byproducts given;
DOI:10.1002/hlca.200390043

Reference yield:

: 38602-53-8,131830-94-9,135683-73-7,16836-28-5
(16R)-16,17-dihydroxy-ent-kauran-3-one

: 16836-28-5,38602-53-8,131830-94-9,135683-73-7
ent-16,17-dihydroxy-16β-kauran-3-one

Guidance literature:: Multi-step reaction with 3 steps

1: 95 percent / pyridine / 20 °C

2: 95 percent / K₂CO₃ / methanol / 20 °C

3: 4 percent / 5 percent H₂SO₄ / tetrahydrofuran; H₂O / 20 °C

With pyridine; sulfuric acid; potassium carbonate; In tetrahydrofuran; methanol; water;
DOI:10.1002/hlca.200390043