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(Q105242413)
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English
[6,7-Dihydroxy-4,18-dimethyl-5-oxo-14-phenyl-17-(3-phenylprop-2-enoyloxy)-16-prop-1-en-2-yl-9,13,15,19-tetraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16]nonadec-3-en-8-yl]methyl hexadecanoate
group of stereoisomers with the chemical formula C₅₂H₆₆O₁₁
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Statements
instance of
group of stereoisomers
0 references
subclass of
daphnane diterpenoid
1 reference
inferred from
daphnane diterpenoid
mass
866.4605129320004
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₅₂H₆₆O₁₁
0 references
canonical SMILES
O=C(OC1C(C)C23OC4(OC(C3C5OC5(COC(=O)CCCCCCCCCCCCCCC)C(O)C6(O)C(=O)C(=CC62)C)C1(O4)C(=C)C)C=7C=CC=CC7)C=CC=8C=CC=CC8
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Identifiers
InChI
InChI=1S/C52H66O11/c1-6-7-8-9-10-11-12-13-14-15-16-17-24-29-40(53)58-33-48-45(60-48)42-46-50(34(2)3)44(59-41(54)31-30-37-25-20-18-21-26-37)36(5)51(42,39-32-35(4)43(55)49(39,57)47(48)56)63-52(61-46,62-50)38-27-22-19-23-28-38/h18-23,25-28,30-32,36,39,42,44-47,56-57H,2,6-17,24,29,33H2,1,3-5H3
0 references
InChIKey
ROQRYYKZDFSIMF-UHFFFAOYSA-N
0 references
PubChem CID
162949520
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ROQRYYKZDFSIMF-UHFFFAOYSA-N
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