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(Q105160828)
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English
16beta-Deuterobarringenol A1
group of stereoisomers with the chemical formula C₃₀H₅₀O₅
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Statements
instance of
group of stereoisomers
0 references
subclass of
oleanane triterpenoid
1 reference
inferred from
oleanane triterpenoid
mass
490.3658247
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₃₀H₅₀O₅
0 references
canonical SMILES
OCC12C(O)CC(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)C(O)C1O
0 references
found in taxon
Camellia sasanqua
1 reference
stated in
Saponin and Sapogenol. V. Sapogenol Constituents of Seeds of Camellia sasanqua THUNB. and Leaves of Ternstroemia japonica THUNB.
Camellia oleifera
1 reference
stated in
Saponin and Sapogenol. V. Sapogenol Constituents of Seeds of Camellia sasanqua THUNB. and Leaves of Ternstroemia japonica THUNB.
Identifiers
InChI
InChI=1S/C30H50O5/c1-25(2)14-18-17-8-9-20-27(5)12-11-21(32)26(3,4)19(27)10-13-28(20,6)29(17,7)23(34)24(35)30(18,16-31)22(33)15-25/h8,18-24,31-35H,9-16H2,1-7H3
0 references
InChIKey
MBKUYULYIBPFSF-UHFFFAOYSA-N
0 references
PubChem CID
435279
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
MBKUYULYIBPFSF-UHFFFAOYSA-N
UniChem compound ID
53807981
1 reference
stated in
UniChem
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