Macrocarpal C
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Macrocarpal C
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CAS No:
142628-53-3
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Formula:
C28H38O5
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Chemical Name:
Macrocarpal C
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Synonyms:
1,3-Benzenedicarboxaldehyde,5-[(1R)-1-[(1aR,4aR,7S,7aR,7bR)-decahydro-1,1,7-trimethyl-4-methylene-1H-cycloprop[e]azulen-7-yl]-3-methylbutyl]-2,4,6-trihydroxy-;1,3-Benzenedicarboxaldehyde,5-[1-(decahydro-1,1,7-trimethyl-4-methylene-1H-cycloprop[e]azulen-7-yl)-3-methylbutyl]-2,4,6-trihydroxy-,[1aR-[1aα,4aα,7β(R*),7aβ,7bα]]-;1H-Cycloprop[e]azulene,1,4-benzenedicarboxaldehyde deriv.;5-[(1R)-1-[(1aR,4aR,7S,7aR,7bR)-Decahydro-1,1,7-trimethyl-4-methylene-1H-cycloprop[e]azulen-7-yl]-3-methylbutyl]-2,4,6-trihydroxy-1,3-benzenedicarboxaldehyde;Macrocarpal C;Macrocarpal G;(-)-Macrocarpal C;145416-92-8
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CAS No:
Computed Properties
Molecular Weight:454.6
XLogP3:7.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:454.27192431
Monoisotopic Mass:454.27192431
Topological Polar Surface Area:94.8
Heavy Atom Count:33
Complexity:767
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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