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(Q105301878)
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English
10-[4,5-Dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-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 C₄₂H₆₈O₁₄
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Statements
instance of
group of stereoisomers
0 references
subclass of
oleanane triterpenoid
1 reference
inferred from
oleanane triterpenoid
mass
796.4609068560004
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₄₂H₆₈O₁₄
0 references
canonical SMILES
O=C(O)C12CCC(C)(C)CC2C3=CCC4C5(C)CCC(OC6OC(CO)C(O)C(O)C6OC7OC(CO)C(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/C42H68O14/c1-37(2)13-15-42(36(51)52)16-14-40(5)21(22(42)17-37)7-8-26-38(3)11-10-27(39(4,20-45)25(38)9-12-41(26,40)6)55-35-33(31(49)29(47)24(19-44)54-35)56-34-32(50)30(48)28(46)23(18-43)53-34/h7,22-35,43-50H,8-20H2,1-6H3,(H,51,52)
0 references
InChIKey
WCMJLEULXWUCRF-UHFFFAOYSA-N
0 references
PubChem CID
14190415
2 references
stated in
PubChem
retrieved
2 January 2023
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
WCMJLEULXWUCRF-UHFFFAOYSA-N
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