(1S,3R,5Z)-5-[(2E)-2-[(3aS,7aR)-1-[(2R)-5-cyclopropylpentan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol

Base Information

• Chemical Name: (1S,3R,5Z)-5-[(2E)-2-[(3aS,7aR)-1-[(2R)-5-cyclopropylpentan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
• CAS No.: 120336-94-9
• Molecular Formula: C27H42 O2
• Molecular Weight: 398.62
• Mol file: 120336-94-9.mol

Synonyms:1,3-dihydroxy-20-(3'-cyclopropylpropyl)-9,10-secopregna-5,7,10(19)-triene;MC 969;MC-969

Chemical Property of (1S,3R,5Z)-5-[(2E)-2-[(3aS,7aR)-1-[(2R)-5-cyclopropylpentan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol

Chemical Property:

• Vapor Pressure: 4.51E-14mmHg at 25°C
• Boiling Point: 543.4°Cat760mmHg
• Flash Point: 231.3°C
• PSA: 40.46000
• Density: 1.06g/cm³
• LogP: 6.34380
• XLogP3: 6.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 398.318480578
• Heavy Atom Count: 29
• Complexity: 670

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CCCC1CC1)C2CCC3C2(CCCC3=CC=C4CC(CC(C4=C)O)O)C
• Isomeric SMILES: C[C@H](CCCC1CC1)C2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C/4\C[C@@H](C[C@H](C4=C)O)O)C