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(Q105185337)
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English
NTAJLZDIWQCQKN-UHFFFAOYSA-N
group of stereoisomers with the chemical formula C₅₂H₈₈O₂₁
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Statements
instance of
group of stereoisomers
0 references
subclass of
protostane/dammarane triterpenoid
1 reference
inferred from
protostane/dammarane triterpenoid
mass
1,048.581809836
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₅₂H₈₈O₂₁
0 references
canonical SMILES
OCC1OC(OC2CCC3(C)C(CCC4(C)C3CC(O)C5C(CCC54C)C(OC6OC(COC7OCC(O)C(OC8OCC(O)C(O)C8O)C7O)C(O)C(O)C6O)(C)CCC=C(C)C)C2(C)C)C(O)C(O)C1O
0 references
found in taxon
Panax
1 reference
stated in
Phytochemical and analytical studies of Panax notoginseng (Burk.) F.H. Chen
Panax notoginseng
1 reference
stated in
Structures of new dammarane-type Triterpene Saponins from the flower buds of Panax notoginseng and hepatoprotective effects of principal Ginseng Saponins
Identifiers
InChI
InChI=1S/C52H88O21/c1-23(2)10-9-14-52(8,73-47-41(64)38(61)36(59)29(70-47)22-68-44-42(65)43(27(56)21-66-44)72-45-39(62)34(57)26(55)20-67-45)24-11-16-51(7)33(24)25(54)18-31-49(5)15-13-32(48(3,4)30(49)12-17-50(31,51)6)71-46-40(63)37(60)35(58)28(19-53)69-46/h10,24-47,53-65H,9,11-22H2,1-8H3
0 references
InChIKey
NTAJLZDIWQCQKN-UHFFFAOYSA-N
0 references
PubChem CID
73821797
1 reference
stated in
PubChem
inferred from
InChIKey
retrieved
15 September 2022
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