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ingenol |
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CHEBI:5922 |
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A tetracyclic diterpenoid that is 1a,2,5,5a,6,9,10,10a-octahydro-1H-2,8a-methanocyclopenta[a]cyclopropa[e][10]annulen-11-one substituted at positions 5, 5a and 6 by hydroxy groups, positions 1, 1, 7 and 9 by methyl groups, position 4 by a hydroxymethyl group and position 1 by an oxo group (the 1aR,2S,5R,5aR,6S,8aS,9R,10aR diastereomer). |
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![](images/goldenstar.gif) ![](images/goldenstar.gif)
This entity has been manually annotated by the ChEBI Team.
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Molfile
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SDF
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InChI=1S/C20H28O5/c1- 9- 7- 19- 10(2) 5- 13- 14(18(13,3) 4) 12(17(19) 24) 6- 11(8- 21) 16(23) 20(19,25) 15(9) 22/h6- 7,10,12- 16,21- 23,25H,5,8H2,1- 4H3/t10- ,12+,13- ,14+,15+,16- ,19+,20- /m1/s1 |
VEBVPUXQAPLADL-POYOOMFHSA-N |
[H][C@@]12C[C@@H](C)[C@]34C=C(C)[C@H](O)[C@@]3(O)[C@H](O)C(CO)=C[C@H](C4=O)[C@]1([H])C2(C)C |
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(1aR,2S,5R,5aR,6S,8aS,9R,10aR)- 5,5a,6- trihydroxy- 4- (hydroxymethyl)- 1,1,7,9- tetramethyl- 1a,2,5,5a,6,9,10,10a- octahydro- 1H- 2,8a- methanocyclopenta[a]cyclopropa[e][10]annulen- 11- one
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2017351
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Reaxys Registry Number
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Reaxys
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30220-46-3
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CAS Registry Number
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KEGG COMPOUND
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30220-46-3
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CAS Registry Number
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ChemIDplus
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