5beta-Hydroxycostic acid

Base Information

• Chemical Name: 5beta-Hydroxycostic acid
• CAS No.: 132185-84-3
• Molecular Formula: C15H22O3
• Molecular Weight: 250.33300
• DSSTox Substance ID: DTXSID401314654
• Nikkaji Number: J357.005C
• Wikidata: Q105271069
• Mol file: 132185-84-3.mol

Synonyms:5beta-Hydroxycostic acid;132185-84-3;2-[(2R,4aR,8aS)-8a-hydroxy-4a-methyl-8-methylidene-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]prop-2-enoic acid;5-Hydroxycostic acid;5beta-Hydroxtcostic acid;5| cent-hydroxycostic acid;DTXSID401314654;AKOS032948135;2-(8a-Hydroxy-4a-methyl-8-methylene-decahydro-naphthalen-2-yl)-acrylic acid;rel-2-[(2R,4aR,8aS)-8a-hydroxy-4a-methyl-8-methylenedecahydronaphthalen-2-yl]acrylic acid;2-[[(2R)-Decahydro-8aalpha-hydroxy-4aalpha-methyl-8-methylenenaphthalen]-2alpha-yl]propenoic acid;2-Naphthaleneacetic acid, decahydro-8a-hydroxy-4a-methyl-,8-bis(methylene)-, [2R-(2,4a,8a)]-;(2R,4aR,8aS)-Decahydro-8a-hydroxy-4a-methyl-,8-bis(methylene)-2-naphthaleneacetic acid;2-naphthaleneacetic acid, decahydro-8a-hydroxy-4a-methyl-alpha,8-bis(methylene)-, (2R,4aR,8aS)-

Chemical Property of 5beta-Hydroxycostic acid

Chemical Property:

• Boiling Point: 406.4±38.0 °C(Predicted)
• PKA: 4.42±0.11(Predicted)
• PSA: 57.53000
• Density: 1.12±0.1 g/cm3(Predicted)
• LogP: 2.90480
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 250.15689456
• Heavy Atom Count: 18
• Complexity: 412

Purity/Quality:

99% ^*data from raw suppliers

(2R,4aR,8aS)-Decahydro-8a-hydroxy-4a-methyl-α,8-bis(methylene)-2-naphthaleneaceticacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCCC(=C)C1(CC(CC2)C(=C)C(=O)O)O
• Isomeric SMILES: C[C@]12CCCC(=C)[C@]1(C[C@@H](CC2)C(=C)C(=O)O)O
• Uses: (2R,4aR,8aS)-Decahydro-8a-hydroxy-4a-methyl-α,8-bis(methylene)-2-naphthaleneacetic acid is extracted from the roots of Saussurea lappa, and Laggera pterodonta, may have anti-viral properties and used in traditional chinese medicine.

Technology Process of 5beta-Hydroxycostic acid

There total 1 articles about 5beta-Hydroxycostic acid 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:

5β-O-(β-D-glucopyranosyloxyl)-eudesma-4(15),11(13)-dien-12-oic acid → 5β-hydroxycostic acid (132185-84-3)

Guidance literature:

Acid hydrolysis;

DOI:10.1016/S0031-9422(03)00370-4

Refernces