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(Q104981416)
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English
(1R,3S,10R,11S,16S)-5-(hydroxymethyl)-11,15,15-trimethyl-2,7-dioxapentacyclo[8.8.0.0¹,³.0⁴,⁸.0¹¹,¹⁶]octadeca-4,8-dien-6-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
5-(Hydroxymethyl)-11,15,15-trimethyl-2,7-dioxapentacyclo[8.8.0.01,3.04,8.011,16]octadeca-4,8-dien-6-one
1 reference
based on heuristic
inferred from SMILES
mass
330.183109312
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
17-hydroxyjolkinolide A
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₀H₂₆O₄
0 references
canonical SMILES
O=C1OC2=CC3C4(OC4C2=C1CO)CCC5C(C)(C)CCCC35C
0 references
isomeric SMILES
CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]13O[C@H]1C1=C(CO)C(=O)OC1=C[C@H]23
0 references
Identifiers
InChI
InChI=1S/C20H26O4/c1-18(2)6-4-7-19(3)13(18)5-8-20-14(19)9-12-15(16(20)24-20)11(10-21)17(22)23-12/h9,13-14,16,21H,4-8,10H2,1-3H3/t13-,14+,16-,19-,20+/m0/s1
0 references
InChIKey
DIJWCRKTZVUBDY-XIPNHXGNSA-N
0 references
PubChem CID
162871983
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
DIJWCRKTZVUBDY-XIPNHXGNSA-N
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