Ajugarin I
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Ajugarin I
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CAS No:
62640-05-5
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Formula:
C24H34O7
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Chemical Name:
Ajugarin I
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Synonyms:
2(5H)-Furanone,4-[2-[(1R,4aR,5S,6R,8S,8aR)-8-(acetyloxy)-8a-[(acetyloxy)methyl]octahydro-5,6-dimethylspiro[naphthalene-1(2H),2′-oxiran]-5-yl]ethyl]-;2(5H)-Furanone,4-[2-[8-(acetyloxy)-8a-[(acetyloxy)methyl]octahydro-5,6-dimethylspiro[naphthalene-1(2H),2′-oxiran]-5-yl]ethyl]-,[1R-(1α,4aβ,5β,6α,8α,8aα)]-;Spiro[naphthalene-1(2H),2′-oxirane],2(5H)-furanone deriv.;4-[2-[(1R,4aR,5S,6R,8S,8aR)-8-(Acetyloxy)-8a-[(acetyloxy)methyl]octahydro-5,6-dimethylspiro[naphthalene-1(2H),2′-oxiran]-5-yl]ethyl]-2(5H)-furanone;Ajugarin I
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CAS No:
Computed Properties
Molecular Weight:434.5
XLogP3:2.9
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:8
Exact Mass:434.23045342
Monoisotopic Mass:434.23045342
Topological Polar Surface Area:91.4
Heavy Atom Count:31
Complexity:804
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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