Macrocarpal B
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Macrocarpal B
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CAS No:
142698-60-0
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Formula:
C28H40O6
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Chemical Name:
Macrocarpal B
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Synonyms:
1,3-Benzenedicarboxaldehyde,5-[(1S)-1-[(1aR,4R,4aR,7S,7aS,7bR)-decahydro-4-hydroxy-1,1,4,7-tetramethyl-1H-cycloprop[e]azulen-7-yl]-3-methylbutyl]-2,4,6-trihydroxy-;1,3-Benzenedicarboxaldehyde,5-[1-(decahydro-4-hydroxy-1,1,4,7-tetramethyl-1H-cycloprop[e]azulen-7-yl)-3-methylbutyl]-2,4,6-trihydroxy-,[1aR-[1aα,4α,4aα,7β(S*),7aβ,7bα]]-;1H-Cycloprop[e]azulene,1,3-benzenedicarboxaldehyde deriv.;5-[(1S)-1-[(1aR,4R,4aR,7S,7aS,7bR)-Decahydro-4-hydroxy-1,1,4,7-tetramethyl-1H-cycloprop[e]azulen-7-yl]-3-methylbutyl]-2,4,6-trihydroxy-1,3-benzenedicarboxaldehyde;Macrocarpal B
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CAS No:
Characteristics
115
9.25
1.2±0.1 g/cm3
535.7±50.0 °C at 760 mmHg
291.8±26.6 °C
1.595
2.63E-12mmHg at 25°C
Computed Properties
Molecular Weight:472.6
XLogP3:6.2
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:472.28248899
Monoisotopic Mass:472.28248899
Topological Polar Surface Area:115
Heavy Atom Count:34
Complexity:774
Defined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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