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(Q105252650)
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English
(4bS,8aS)-9-hydroxy-2-isopropyl-4b,8,8-trimethyl-5,6,7,8a-tetrahydrophenanthrene-1,4-dione
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
9-hydroxy-2-isopropyl-4b,8,8-trimethyl-5,6,7,8a-tetrahydrophenanthrene-1,4-dione
1 reference
based on heuristic
inferred from SMILES
mass
314.188194692
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₂₆O₃
0 references
canonical SMILES
O=C1C=C(C(=O)C=2C=C(O)C3C(C12)(C)CCCC3(C)C)C(C)C
0 references
isomeric SMILES
CC(C)C1=CC(=O)C2=C(C=C(O)[C@H]3C(C)(C)CCC[C@]23C)C1=O
0 references
found in taxon
Salvia nutans
2 references
stated in
12-Deoxy-6,7-dehydroroyleanone, 12-deoxy-6-hydroxy-6,7-dehydroroyleanone and 12-deoxy-7,7-dimethoxy-6-ketoroyleanone from Salvia nutans roots
stated in
12-Deoxy-6,7-dehydroroyleanone, 12-deoxy-6-hydroxy-6,7-dehydroroyleanone and 12-deoxy-7,7-dimethoxy-6-ketoroyleanone from Salvia nutans roots
Identifiers
InChI
InChI=1S/C20H26O3/c1-11(2)12-9-14(21)16-13(17(12)23)10-15(22)18-19(3,4)7-6-8-20(16,18)5/h9-11,18,22H,6-8H2,1-5H3/t18-,20+/m0/s1
0 references
InChIKey
SGUSUNOAUSBGDV-AZUAARDMSA-N
0 references
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