Rabdoternin B

Base Information

• Chemical Name: Rabdoternin B
• CAS No.: 128887-81-0
• Molecular Formula: C20H28 O7
• Molecular Weight: 380.4321
• DSSTox Substance ID: DTXSID60926232
• Wikidata: Q82900723
• Metabolomics Workbench ID: 128864
• ChEMBL ID: CHEMBL2407388
• Mol file: 128887-81-0.mol

Synonyms:Rabdoternin B;(-)-Rabdoternin B;128887-81-0;(1S,4aR,5S,6S,6aR,7R,9S,11aR,11bR,14R)-1,5,6,7,14-pentahydroxy-4,4-dimethyl-8-methylenedodecahydro-1H-6,11b-(epoxymethano)-6a,9-methanocyclohepta[a]naphthalen-12-one;CHEMBL2407388;DTXSID60926232;C2028O7;C20-28-O7;1,6,7,14,15-Pentahydroxy-7,20-epoxykaur-16-en-20-one;(1R,2R,5S,7R,8R,9S,10S,11R,15S,18R)-7,9,10,15,18-pentahydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-16-one;Kaur-16-en-20-oic acid, 1,6,7,7,14,15-hexahydroxy-, 20,7-lactone, (1alpha,6beta,7alpha,14R,15beta)-

Chemical Property of Rabdoternin B

Chemical Property:

• Boiling Point: 634.4°Cat760mmHg
• Flash Point: 227.1°C
• Density: 1.49g/cm³
• XLogP3: -0.7
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 0
• Exact Mass: 380.18350323
• Heavy Atom Count: 27
• Complexity: 749

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CCC(C23C1C(C(C45C2CCC(C4O)C(=C)C5O)(OC3=O)O)O)O)C
• Isomeric SMILES: CC1(CC[C@@H]([C@]23[C@@H]1[C@@H]([C@]([C@]45[C@H]2CC[C@H]([C@H]4O)C(=C)[C@H]5O)(OC3=O)O)O)O)C