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(Q105135158)
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English
(2,5,7,9,11-Pentaacetyloxy-1,4-dihydroxy-4,12,12,15-tetramethyl-8-methylidene-14-oxo-16-oxatricyclo[11.2.1.02,6]hexadecan-10-yl) benzoate
group of stereoisomers with the chemical formula C₃₇H₄₆O₁₆
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Statements
instance of
group of stereoisomers
0 references
subclass of
jatrophane diterpenoid
1 reference
inferred from
jatrophane diterpenoid
mass
746.2785853920003
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₃₇H₄₆O₁₆
0 references
canonical SMILES
O=C(OC1C(OC(=O)C)C(=C)C(OC(=O)C)C2C(OC(=O)C)C(O)(C)CC2(OC(=O)C)C3(O)OC(C(=O)C3C)C(C)(C)C1OC(=O)C)C=4C=CC=CC4
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Identifiers
InChI
InChI=1S/C37H46O16/c1-17-27(47-19(3)38)25-30(49-21(5)40)35(10,45)16-36(25,52-23(7)42)37(46)18(2)26(43)31(53-37)34(8,9)32(50-22(6)41)29(28(17)48-20(4)39)51-33(44)24-14-12-11-13-15-24/h11-15,18,25,27-32,45-46H,1,16H2,2-10H3
0 references
InChIKey
JUCOOGZXMGBGJB-UHFFFAOYSA-N
0 references
PubChem CID
72832427
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
JUCOOGZXMGBGJB-UHFFFAOYSA-N
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