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(Q105340270)
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English
10-[4,5-Dihydroxy-6-methyl-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
group of stereoisomers with the chemical formula C₄₁H₆₆O₁₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
oleanane triterpenoid
1 reference
inferred from
oleanane triterpenoid
mass
750.455427552
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₄₁H₆₆O₁₂
0 references
canonical SMILES
O=C(O)C12CCC(C)(C)CC2C3=CCC4C5(C)CCC(OC6OC(C)C(O)C(O)C6OC7OCC(O)C(O)C7O)C(C)(CO)C5CCC4(C)C3(C)CC1
0 references
found in taxon
Hedera taurica
1 reference
stated in
Triterpene glycosides ofHedera helix III. Structure of the triterpene sulfates and their glycosides
Identifiers
InChI
InChI=1S/C41H66O12/c1-21-28(44)30(46)32(53-33-31(47)29(45)24(43)19-50-33)34(51-21)52-27-11-12-37(4)25(38(27,5)20-42)10-13-40(7)26(37)9-8-22-23-18-36(2,3)14-16-41(23,35(48)49)17-15-39(22,40)6/h8,21,23-34,42-47H,9-20H2,1-7H3,(H,48,49)
0 references
InChIKey
XRAOSDJJKHKKPY-UHFFFAOYSA-N
0 references
PubChem CID
74821370
2 references
stated in
PubChem
retrieved
2 January 2023
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
XRAOSDJJKHKKPY-UHFFFAOYSA-N
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