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(Q105314114)
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English
Sarcophytin
group of stereoisomers with the chemical formula C₂₁H₃₀O₅
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
362.2093240599999
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₂₁H₃₀O₅
0 references
canonical SMILES
O=C(OC)C1=CC23OC4(O)CC(C(=O)C1C4(C)C3CCC(C)C2)C(C)C
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isomeric SMILES
COC(=O)C1=CC23C[C@H](C)CC[C@H]2[C@@]2(C)[C@@H]1C(=O)[C@H](C(C)C)C[C@@]2(O)O3
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Identifiers
InChI
InChI=1S/C21H30O5/c1-11(2)13-10-21(24)19(4)15-7-6-12(3)8-20(15,26-21)9-14(18(23)25-5)16(19)17(13)22/h9,11-13,15-16,24H,6-8,10H2,1-5H3/t12-,13+,15+,16+,19+,20?,21-/m1/s1
0 references
InChIKey
WWKLZOFMEXWTLT-DFUKARJBSA-N
0 references
PubChem CID
102095030
1 reference
based on heuristic
inferred from InChIKey
UniChem compound ID
97780221
1 reference
stated in
UniChem
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