11α-Hydroxyobacunoic acid 3,4-lactone
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11α-Hydroxyobacunoic acid 3,4-lactone
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CAS No:
23885-43-0
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Formula:
C26H30O8
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Chemical Name:
11α-Hydroxyobacunoic acid 3,4-lactone
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Synonyms:
11α-Hydroxyobacunoic acid 3,4-lactone;Oxireno[4,4a]-2-benzopyrano[6,5-g][2]benzoxepin-3,5,9(3aH,4bH,6H)-trione, 1-(3-furanyl)-1,6a,7,11a,11b,12,13,13a-octahydro-12-hydroxy-4b,7,7,11a,13a-pentamethyl-, (1S,3aS,4aR,4bR,6aR,11aR,11bR,12S,13aS)-;Zapoterin
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CAS No:
Characteristics
116
2
1.37±0.1 g/cm3(Predicted)
257-259 °C
665.4±55.0 °C(Predicted)
14.22±0.70(Predicted)
Computed Properties
Molecular Weight:470.5
XLogP3:2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:1
Exact Mass:470.19406791
Monoisotopic Mass:470.19406791
Topological Polar Surface Area:116
Heavy Atom Count:34
Complexity:1020
Defined Atom Stereocenter Count:9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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11α-Hydroxyobacunoic acid 3,4-lactone
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