(1S,2S,13R,21R)-22-(cyclopropylmethyl)-11,14-dioxa-22-azoniaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5,7,9,15,17,19(25)-heptaene-2,16-diol;methanesulfonate

Base Information

• Chemical Name: (1S,2S,13R,21R)-22-(cyclopropylmethyl)-11,14-dioxa-22-azoniaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5,7,9,15,17,19(25)-heptaene-2,16-diol;methanesulfonate
• CAS No.: 122517-78-6
• Molecular Formula: CH₄O₃S*C₂₆H₂₅NO₄
• Molecular Weight: 511.596
• Mol file: 122517-78-6.mol

Synonyms:

Chemical Property of (1S,2S,13R,21R)-22-(cyclopropylmethyl)-11,14-dioxa-22-azoniaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5,7,9,15,17,19(25)-heptaene-2,16-diol;methanesulfonate

Chemical Property:

• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 511.16647344
• Heavy Atom Count: 36
• Complexity: 852

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CS(=O)(=O)[O-].C1CC1C[NH+]2CCC34C5C6=C(CC3(C2CC7=C4C(=C(C=C7)O)O5)O)C8=CC=CC=C8O6
• Isomeric SMILES: CS(=O)(=O)[O-].C1CC1C[NH+]2CC[C@]34[C@@H]5C6=C(C[C@]3([C@H]2CC7=C4C(=C(C=C7)O)O5)O)C8=CC=CC=C8O6