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Epidanshenspiroketallactone
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
4',6-Dimethylspiro[benzo[g][2]benzofuran-3,2'-oxolane]-1-one
1 reference
based on heuristic
inferred from SMILES
mass
268.109944372
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
Danshinspiroketallactone
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(3S,4'S)-4',6-dimethylspiro[benzo[g][2]benzofuran-3,2'-oxolane]-1-one
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(3R,4'R)-4',6-dimethylspiro[benzo[g][2]benzofuran-3,2'-oxolane]-1-one
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₇H₁₆O₃
0 references
canonical SMILES
O=C1OC2(OCC(C)C2)C3=CC=C4C(C=CC=C4C)=C13
0 references
isomeric SMILES
Cc1cccc2c3c(ccc12)[C@@]1(C[C@H](C)CO1)OC3=O
0 references
found in taxon
Salvia miltiorrhiza
2 references
stated in
Cryptoacetalide and Epicryptoacetalide, Novel Spirolactone Diterpenoids fromSalvia miltiorrhiza
stated in
Epi-danshenspiroketallactone from Salvia miltiorrhiza
Salvia glutinosa
1 reference
stated in
Diterpenoids from Salvia glutinosa, S. austriaca, S. tomentosa and S. verticillata roots
Identifiers
InChI
InChI=1S/C17H16O3/c1-10-8-17(19-9-10)14-7-6-12-11(2)4-3-5-13(12)15(14)16(18)20-17/h3-7,10H,8-9H2,1-2H3/t10-,17+/m0/s1
0 references
InChIKey
DNLNYCCHXAULQA-DYZYQPBXSA-N
0 references
PubChem CID
102004791
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
DNLNYCCHXAULQA-DYZYQPBXSA-N
UniChem compound ID
110855844
1 reference
stated in
UniChem
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