7,9a-Methano-9aH-cyclopenta(b)heptalene-2,4,11,11a,12(1H)-pentol, dodecahydro-1,1,4,8-tetramethyl-, (2S,3as,4R,4ar,7R,8R,9as,11R,11aR,12R)-

Base Information

• Chemical Name: 7,9a-Methano-9aH-cyclopenta(b)heptalene-2,4,11,11a,12(1H)-pentol, dodecahydro-1,1,4,8-tetramethyl-, (2S,3as,4R,4ar,7R,8R,9as,11R,11aR,12R)-
• CAS No.: 59236-83-8
• Molecular Formula: C20H34 O5
• Molecular Weight: 354.481
• DSSTox Substance ID: DTXSID30974664

Synonyms:16-Deoxygrayanotoxin III;Grayanotoxane-3,5,6,10,14-pentol, (3-beta,6-beta,14R)-;59236-83-8;7,9a-Methano-9aH-cyclopenta(b)heptalene-2,4,11,11a,12(1H)-pentol, dodecahydro-1,1,4,8-tetramethyl-, (2S,3as,4R,4ar,7R,8R,9as,11R,11aR,12R)-;DTXSID30974664;Grayanotoxane-3,5,6,10,14-pentol;LS-90783

Chemical Property of 7,9a-Methano-9aH-cyclopenta(b)heptalene-2,4,11,11a,12(1H)-pentol, dodecahydro-1,1,4,8-tetramethyl-, (2S,3as,4R,4ar,7R,8R,9as,11R,11aR,12R)-

Chemical Property:

• Vapor Pressure: 7.99E-13mmHg at 25°C
• Boiling Point: 516.4°C at 760 mmHg
• Flash Point: 233.5°C
• Density: 1.28g/cm³
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 354.24062418
• Heavy Atom Count: 25
• Complexity: 578

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC23CC(C4(C(CC(C4(C)C)O)C(C2CCC1C3O)(C)O)O)O
• Isomeric SMILES: C[C@H]1CC23C[C@H]([C@]4([C@@H](C[C@@H](C4(C)C)O)[C@]([C@@H]2CCC1[C@@H]3O)(C)O)O)O

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