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(Q105161420)
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English
[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] 5,9-dimethyl-14-methylidene-15-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate
group of stereoisomers with the chemical formula C₃₂H₅₀O₁₃
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Statements
instance of
group of stereoisomers
0 references
subclass of
kaurane diterpenoid
1 reference
inferred from
kaurane diterpenoid
mass
642.32514166
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₃₂H₅₀O₁₃
0 references
canonical SMILES
O=C(OC1OC(CO)C(O)C(O)C1O)C2(C)CCCC3(C)C2CCC45CC(C(=C)C4OC6OC(CO)C(O)C(O)C6O)CCC35
0 references
found in taxon
Stevia ovata
1 reference
stated in
Application of 13C nuclear magnetic resonance spectroscopy to chemistry of glycosides: Structures of paniculosides-I, -II, -III, -IV, and -v, diterpene glucosides of Stevia paniculata Lag.
Identifiers
InChI
InChI=1S/C32H50O13/c1-14-15-5-6-19-30(2)8-4-9-31(3,29(41)45-28-25(40)23(38)21(36)17(13-34)43-28)18(30)7-10-32(19,11-15)26(14)44-27-24(39)22(37)20(35)16(12-33)42-27/h15-28,33-40H,1,4-13H2,2-3H3
0 references
InChIKey
MCSYAAJGVRMVKY-UHFFFAOYSA-N
0 references
PubChem CID
14705566
2 references
stated in
PubChem
retrieved
2 January 2023
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
MCSYAAJGVRMVKY-UHFFFAOYSA-N
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