Methyl 16-oxostachan-18-oate

Base Information

• Chemical Name: Methyl 16-oxostachan-18-oate
• CAS No.: 30217-41-5
• Molecular Formula: C₂₁H₃₂O₃
• Molecular Weight: 332.483
• UNII: D95WKE4X3P
• ChEMBL ID: CHEMBL4870394
• Nikkaji Number: J934.816F
• Mol file: 30217-41-5.mol

Synonyms:Isosteviol, methyl ester;methyl 16-oxostachan-18-oate;D95WKE4X3P;(-)-Isosteviol methyl ester;UNII-D95WKE4X3P;30217-41-5;(4R,4aS,6aR,9S,11aR,11bS)-Methyl 4,9,11b-trimethyl-8-oxotetradecahydro-6a,9-methanocyclohepta(a)naphthalene-4-carboxylate;17-Nor-8beta,13beta-kauran-18-oic acid, 13-methyl-16-oxo-, methyl ester;17-Norkauran-18-oic acid, 13-methyl-16-oxo-, methyl ester, (4alpha,8beta,13beta)-;CHEMBL4870394;17-NOR-8.BETA.,13.BETA.-KAURAN-18-OIC ACID, 13-METHYL-16-OXO-, METHYL ESTER;17-NORKAURAN-18-OIC ACID, 13-METHYL-16-OXO-, METHYL ESTER, (4.ALPHA.,8.BETA.,13.BETA.)-

Chemical Property of Methyl 16-oxostachan-18-oate

Chemical Property:

• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 332.23514488
• Heavy Atom Count: 24
• Complexity: 598

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC12CCC3C4(CCCC(C4CCC3(C1)CC2=O)(C)C(=O)OC)C
• Isomeric SMILES: C[C@]12CC[C@H]3[C@@]4(CCC[C@@]([C@H]4CC[C@@]3(C1)CC2=O)(C)C(=O)OC)C