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(Q105311147)
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English
WRBYBCDPZFZXGG-UHFFFAOYSA-N
group of stereoisomers with the chemical formula C₄₆H₇₀O₂₀
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Statements
instance of
group of stereoisomers
0 references
subclass of
Withanolides
1 reference
inferred from
Withanolides
mass
942.44604464
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₄₆H₇₀O₂₀
0 references
canonical SMILES
O=C1OC(CC(=C1C)C)C(O)(C)C2CCC3C4CC=C5CC(OC6OC(CO)C(OC7OCC(O)C(O)C7O)C(OC8OCC(O)C(O)C8O)C6O)CC(OC(=O)C)C5(C)C4CCC32CO
0 references
Identifiers
InChI
InChI=1S/C46H70O20/c1-19-12-32(64-40(57)20(19)2)45(5,58)30-9-8-26-24-7-6-22-13-23(14-31(61-21(3)49)44(22,4)25(24)10-11-46(26,30)18-48)62-43-37(56)39(66-42-36(55)34(53)28(51)17-60-42)38(29(15-47)63-43)65-41-35(54)33(52)27(50)16-59-41/h6,23-39,41-43,47-48,50-56,58H,7-18H2,1-5H3
0 references
InChIKey
WRBYBCDPZFZXGG-UHFFFAOYSA-N
0 references
PubChem CID
162943496
2 references
stated in
PubChem
inferred from
InChIKey
retrieved
15 September 2022
matched by identifier from
InChIKey
InChIKey
WRBYBCDPZFZXGG-UHFFFAOYSA-N
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