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(Q115951118)
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English
(1S,3R,8S,10S,11R,12R,15S,17S)-15-hydroxy-5,12,16,16-tetramethyl-2,7,9-trioxahexacyclo[9.8.0.01,3.04,8.08,10.012,17]nonadec-4-en-6-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
abietane diterpenoid
1 reference
based on heuristic
inferred from SMILES
mass
346.178023932
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
Gelomulide J
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₀H₂₆O₅
0 references
canonical SMILES
O=C1OC23OC3C4C5(OC5C2=C1C)CCC6C(C)(C)C(O)CCC64C
0 references
isomeric SMILES
CC1=C2[C@H]3O[C@]34CC[C@@H]3C(C)(C)[C@@H](O)CC[C@@]3(C)[C@@H]4[C@@H]3O[C@]23OC1=O
0 references
found in taxon
Suregada multiflora
1 reference
stated in
Q115951082
Identifiers
InChI
InChI=1S/C20H26O5/c1-9-12-14-19(23-14)8-5-10-17(2,3)11(21)6-7-18(10,4)13(19)15-20(12,24-15)25-16(9)22/h10-11,13-15,21H,5-8H2,1-4H3/t10-,11+,13+,14-,15+,18-,19+,20+/m1/s1
0 references
InChIKey
GVHKYCJNBLQSPX-DDAZBGHBSA-N
0 references
PubChem CID
163104197
2 references
stated in
PubChem
retrieved
2 January 2023
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
GVHKYCJNBLQSPX-DDAZBGHBSA-N
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