macrocalin A
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macrocalin A
structure -
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CAS No:
10391-08-9
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Formula:
C12H26
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Chemical Name:
macrocalin A
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Synonyms:
(-)-Isodocarpin;(10bS)-1,2,3,3aβ,8,9,10,10aα,13,13aβ-Decahydro-13β-hydroxy-1,1-dimethyl-7-methylene-5H-5aβ,8β-methanocyclohepta[c]furo[3,4-e][1]benzopyran-5,6(7H)-dione;13-Deoxyenmein;Isodocarpin
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CAS No:
Computed Properties
Molecular Weight:346.4
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Exact Mass:346.17802393
Monoisotopic Mass:346.17802393
Topological Polar Surface Area:72.8
Heavy Atom Count:25
Complexity:696
Undefined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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