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(Q105156859)
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English
(6,10-Diacetyloxy-2-ethenyl-10a-hydroxy-2,4b,8,8-tetramethyl-1,7-dioxo-3,4,4a,8a,9,10-hexahydrophenanthren-4-yl) benzoate
group of stereoisomers with the chemical formula C₃₁H₃₆O₉
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Statements
instance of
group of stereoisomers
0 references
subclass of
pimarane diterpenoid
1 reference
inferred from
pimarane diterpenoid
mass
552.2359327319998
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₃₁H₃₆O₉
0 references
canonical SMILES
O=C(OC1CC(C=C)(C(=O)C2(O)C(OC(=O)C)CC3C(C=C(OC(=O)C)C(=O)C3(C)C)(C)C12)C)C=4C=CC=CC4
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Identifiers
InChI
InChI=1S/C31H36O9/c1-8-29(6)15-20(40-26(35)19-12-10-9-11-13-19)24-30(7)16-21(38-17(2)32)25(34)28(4,5)22(30)14-23(39-18(3)33)31(24,37)27(29)36/h8-13,16,20,22-24,37H,1,14-15H2,2-7H3
0 references
InChIKey
LSZJDNYREMWISO-UHFFFAOYSA-N
0 references
PubChem CID
75051747
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
LSZJDNYREMWISO-UHFFFAOYSA-N
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