9,21-Didehydroryanodine
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9,21-Didehydroryanodine
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CAS No:
94513-55-0
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Formula:
C25H33NO9
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Chemical Name:
9,21-Didehydroryanodine
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Synonyms:
1H-Pyrrole-2-carboxylic acid,(4R,4aR,6S,6aS,7S,8R,8aS,8bR,9S,9aS)-dodecahydro-4,6,7,8a,8b,9a-hexahydroxy-6a,9-dimethyl-3-methylene-7-(1-methylethyl)-6,9-methanobenzo[1,2]pentaleno[1,6-bc]furan-8-yl ester;Ryanodol,9,21-didehydro-,3-(1H-pyrrole-2-carboxylate);9,21-Didehydroryanodine;Δ9,21-Dehydroryanodine;Dehydroryanodine;1H-Pyrrole-2-carboxylic acid,dodecahydro-4,6,7,8a,8b,9a-hexahydroxy-6a,9-dimethyl-3-methylene-7-(1-methylethyl)-6,9-methanobenzo[1,2]pentaleno[1,6-bc]furan-8-yl ester,[4R-(4α,4aR*,6β,6aβ,7β,8α,8aβ,8bβ,9α,9aβ)]-
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CAS No:
Computed Properties
Molecular Weight:491.5
XLogP3:-1.1
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:4
Exact Mass:491.21553163
Monoisotopic Mass:491.21553163
Topological Polar Surface Area:173
Heavy Atom Count:35
Complexity:1050
Defined Atom Stereocenter Count:10
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes