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(Q105265722)
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English
Methyl 3-acetyloxy-11,12,15,16-tetrahydroxy-9,13-dimethyl-4-oxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate
group of stereoisomers with the chemical formula C₂₃H₃₀O₁₁
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Statements
instance of
group of stereoisomers
0 references
subclass of
picrasane
1 reference
inferred from
picrasane
mass
482.17881178
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₃H₃₀O₁₁
0 references
canonical SMILES
O=C(OC1C(=O)OC2CC3C(=CC(O)C(O)C3(C)C4C(O)C(O)C5(OCC24C15)C(=O)OC)C)C
0 references
found in taxon
Brucea javanica
1 reference
stated in
Anti-tobacco mosaic virus (TMV) Quassinoids from Brucea javanica (L.) Merr
Identifiers
InChI
InChI=1S/C23H30O11/c1-8-5-11(25)17(27)21(3)10(8)6-12-22-7-32-23(20(30)31-4,18(28)13(26)15(21)22)16(22)14(19(29)34-12)33-9(2)24/h5,10-18,25-28H,6-7H2,1-4H3
0 references
InChIKey
TWCMVXMQHSVIOJ-UHFFFAOYSA-N
0 references
PubChem CID
162918618
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
TWCMVXMQHSVIOJ-UHFFFAOYSA-N
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