4-(9-Hydroxy-3-{5'-[6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-2,3'-dimethyl[2,2'-bioxolan]-5-yl}-3,8-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl)-3-methoxy-2-methylpentanoic acid

Base Information

• Chemical Name: 4-(9-Hydroxy-3-{5'-[6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-2,3'-dimethyl[2,2'-bioxolan]-5-yl}-3,8-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl)-3-methoxy-2-methylpentanoic acid
• CAS No.: 30485-16-6
• Molecular Formula: C35H60 O11
• Molecular Weight: 656.8443
• DSSTox Substance ID: DTXSID70952805
• Wikidata: Q82931492
• Mol file: 30485-16-6.mol

Synonyms:DTXSID70952805;4-(9-Hydroxy-3-{5'-[6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-2,3'-dimethyl[2,2'-bioxolan]-5-yl}-3,8-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl)-3-methoxy-2-methylpentanoic acid

Chemical Property of 4-(9-Hydroxy-3-{5'-[6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-2,3'-dimethyl[2,2'-bioxolan]-5-yl}-3,8-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl)-3-methoxy-2-methylpentanoic acid

Chemical Property:

• Boiling Point: 760.1°Cat760mmHg
• Flash Point: 229.2°C
• PSA: 153.37000
• Density: 1.22g/cm³
• LogP: 3.74030
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 9
• Exact Mass: 656.41356273
• Heavy Atom Count: 46
• Complexity: 1090

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC(C(OC1C2CC(C(O2)C3(CCC(O3)C4(CC5(CC(C(C(O5)C(C)C(C(C)C(=O)O)OC)C)O)OC4)C)C)C)(CO)O)C