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β-seco-amyrin |
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CHEBI:63466 |
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beta-seco-amyrin |
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A triterpenoid that is (2S)-1,2,3,4,4a,5,8,8a-octahydronaphthalen-2-ol substituted by methyl groups at the 1, 1, 4a, and 6 positions and substituted at position 5 by a 2-[(4aR,8aR)-2,4a,7,7-tetramethyl-3,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]ethyl group. |
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This entity has been manually annotated by the ChEBI Team.
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Kristian Axelsen
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Molfile
XML
SDF
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more structures >>
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InChI=1S/C30H50O/c1-20-13-15-29(7)18-17-27(3,4)19-24(29)22(20)10-11-23-21(2)9-12-25-28(5,6)26(31)14-16-30(23,25)8/h9,23-26,31H,10-19H2,1-8H3/t23-,24-,25-,26-,29-,30+/m0/s1 |
BVMWOSNBDNNUBA-NBANTFJXSA-N |
[H][C@]1(CCC2=C(C)CC[C@@]3(C)CCC(C)(C)C[C@@]23[H])C(C)=CC[C@@]2([H])C(C)(C)[C@@H](O)CC[C@]12C |
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(2S,4aR,5S,8aR)-1,1,4a,6-tetramethyl-5-{2-[(4aR,8aR)-2,4a,7,7-tetramethyl-3,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]ethyl}-1,2,3,4,4a,5,8,8a-octahydronaphthalen-2-ol
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8,14-secooleana-7,13-diene-3β-ol
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SUBMITTER
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β-seco-amyrin
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UniProt
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10734072
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Reaxys Registry Number
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Reaxys
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17263431
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PubMed citation
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SUBMITTER
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