Gedunin
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Gedunin
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CAS No:
2753-30-2
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Formula:
C28H34O7
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Chemical Name:
Gedunin
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Synonyms:
Oxireno[c]phenanthro[1,2-d]pyran-3,8(3aH,4bH)-dione,5-(acetyloxy)-1-(3-furanyl)-1,5,6,6a,7,10a,10b,11,12,12a-decahydro-4b,7,7,10a,12a-pentamethyl-,(1S,3aS,4aR,4bS,5R,6aR,10aR,10bR,12aS)-;Gedunin;16,17-Seco-24-nor-5α,13α,14β,17α-chola-1,20,22-trien-16-oic acid,14,15β:21,23-diepoxy-7α,17-dihydroxy-4,4,8-trimethyl-3-oxo-,16,17-lactone,acetate;D-Homo-24-nor-17-oxachola-1,20,22-triene-3,16-dione,7-(acetyloxy)-14,15:21,23-diepoxy-4,4,8-trimethyl-,(5α,7α,13α,14β,15β,17aα)-;(1S,3aS,4aR,4bS,5R,6aR,10aR,10bR,12aS)-5-(Acetyloxy)-1-(3-furanyl)-1,5,6,6a,7,10a,10b,11,12,12a-decahydro-4b,7,7,10a,12a-pentamethyloxireno[c]phenanthro[1,2-d]pyran-3,8(3aH,4bH)-dione;Gedunine;NSC 113497;6512-19-2;1164129-40-1
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CAS No:
Description
ChEBI: A pentacyclic triterpenoid natural product found particularly in Azadirachta indica and Cedrela odorata.
Characteristics
95.34000
4.56070
1.28g/cm3
218 °C @ Solvent: Methanol
594.3ºC at 760mmHg
313.2ºC
1.581
Safety Information
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:482.6
XLogP3:4.2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:3
Exact Mass:482.23045342
Monoisotopic Mass:482.23045342
Topological Polar Surface Area:95.3
Heavy Atom Count:35
Complexity:1030
Undefined Atom Stereocenter Count:9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes