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(Q105362652)
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English
(17-Acetyloxy-6,7-dihydroxy-4,18-dimethyl-5-oxo-16-prop-1-en-2-yl-14-trideca-1,3-dienyl-9,13,15,19-tetraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16]nonadec-3-en-8-yl)methyl pentadec-5-enoate
group of stereoisomers with the chemical formula C₅₁H₇₆O₁₁
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Statements
instance of
group of stereoisomers
0 references
subclass of
daphnane diterpenoid
1 reference
inferred from
daphnane diterpenoid
mass
864.5387632520003
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₅₁H₇₆O₁₁
0 references
canonical SMILES
O=C(OC1C(C)C23OC4(OC(C3C5OC5(COC(=O)CCCC=CCCCCCCCCC)C(O)C6(O)C(=O)C(=CC62)C)C1(O4)C(=C)C)C=CC=CCCCCCCCCC)C
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Identifiers
InChI
InChI=1S/C51H76O11/c1-8-10-12-14-16-18-20-21-23-25-27-29-31-40(53)57-34-47-44(59-47)41-45-50(35(3)4)43(58-38(7)52)37(6)51(41,39-33-36(5)42(54)49(39,56)46(47)55)62-48(60-45,61-50)32-30-28-26-24-22-19-17-15-13-11-9-2/h23,25-26,28,30,32-33,37,39,41,43-46,55-56H,3,8-22,24,27,29,31,34H2,1-2,4-7H3
0 references
InChIKey
YUDODVIHLKUPET-UHFFFAOYSA-N
0 references
PubChem CID
162990458
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
YUDODVIHLKUPET-UHFFFAOYSA-N
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