Nomilin
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Nomilin
structure -
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CAS No:
1063-77-0
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Formula:
C28H34O9
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Chemical Name:
Nomilin
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Synonyms:
Oxireno[4,4a]-2-benzopyrano[6,5-g][2]benzoxepin-3,5,9(3aH,4bH,6H)-trione,11-(acetyloxy)-1-(3-furanyl)decahydro-4b,7,7,11a,13a-pentamethyl-,(1S,3aS,4aR,4bR,6aR,11S,11aR,11bR,13aS)-;Oxireno[4,4a]-2-benzopyrano[6,5-g][2]benzoxepin-3,5,9(3aH,4bH,6H)-trione,1-(3-furyl)decahydro-11-hydroxy-4b,7,7,11a,13a-pentamethyl-,acetate;Nomilin;Obacunoic acid,1-(acetyloxy)-1,2-dihydro-,ε-lactone;(1S,3aS,4aR,4bR,6aR,11S,11aR,11bR,13aS)-11-(Acetyloxy)-1-(3-furanyl)decahydro-4b,7,7,11a,13a-pentamethyloxireno[4,4a]-2-benzopyrano[6,5-g][2]benzoxepin-3,5,9(3aH,4bH,6H)-trione;Oxireno[4,4a]-2-benzopyrano[6,5-g][2]benzoxepin-3,5,9(3aH,4bH,6H)-trione,11-(acetyloxy)-1-(3-furanyl)decahydro-4b,7,7,11a,13a-pentamethyl-,[1S-(1α,3aα,4aS*,4bβ,6aα,11α,11aβ,11bα,13aα)]-;NSC 297134
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CAS No:
Characteristics
122
3.69020
Slightly Off-white solid
1.33±0.1 g/cm3(Predicted)
278-279 °C (decomp)
657.7±55.0 °C(Predicted)
351.6±31.5 °C
1.575
Keep container tightly closed.
3.57E-17mmHg at 25°C
D23 -95.7°
Safety Information
NONH for all modes of transport
3
24/25
Stable at normal temperatures and pressures.
Computed Properties
Molecular Weight:514.6
XLogP3:2.6
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:3
Exact Mass:514.22028266
Monoisotopic Mass:514.22028266
Topological Polar Surface Area:122
Heavy Atom Count:37
Complexity:1080
Defined Atom Stereocenter Count:9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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