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Granaticin B

Granaticin B structure

CAS No:
19879-03-9
Formula:
C28H30O12
Chemical Name:
Granaticin B
Synonyms:
8,11-Ethanofuro[2,3-e]naphtho[2,3-c:6,7-c′]dipyran-2,6,13(9H)-trione,3,3a,5,8,11,13b-hexahydro-7,8,12-trihydroxy-5,9-dimethyl-15-[[(2S,5S,6S)-tetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl]oxy]-,(3aS,5S,8S,9R,11R,13bS,15R)-;Granaticin B;8,11-Ethanofuro[2,3-e]naphtho[2,3-c:6,7-c′]dipyran-2,6,13(9H)-trione,3,3a,5,8,11,13b-hexahydro-7,8,12-trihydroxy-5,9-dimethyl-15-[(tetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl)oxy]-,[3aS-[3aα,5α,8α,9α,11β,13bα,15S*(2R*,5R*,6R*)]]-;(3aS,5S,8S,9R,11R,13bS,15R)-3,3a,5,8,11,13b-Hexahydro-7,8,12-trihydroxy-5,9-dimethyl-15-[[(2S,5S,6S)-tetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl]oxy]-8,11-ethanofuro[2,3-e]naphtho[2,3-c:6,7-c′]dipyran-2,6,13(9H)-trione;MM 44326;N 01WB-352B;MSk 777
Categories:
Organic Chemistry > Heterocyclic Ring

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Granaticin B Basic Attributes

Molecular Weight：

558.5 g/mol

Exact Mass：

558.53

Characteristics

PSA：

178 Å²

Computed Properties

Molecular Weight:558.5
XLogP3:0.4
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:2
Exact Mass:558.17372639
Monoisotopic Mass:558.17372639
Topological Polar Surface Area:178
Heavy Atom Count:40
Complexity:1170
Undefined Atom Stereocenter Count:10
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes