(Q104988238)

English

2-[[10,14-Dihydroxy-15-[5-hydroxy-6-methyl-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]-7,7,12,16-tetramethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

group of stereoisomers with the chemical formula C₄₂H₇₂O₁₅

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instance of

group of stereoisomers

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subclass of

cycloartane triterpenoid

1 reference

inferred from

cycloartane triterpenoid

mass

816.4871216040004 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₄₂H₇₂O₁₅

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canonical SMILES

OCC1OC(OC2CCC34CC54CCC6(C)C(C(O)CC6(C)C5C(O)CC3C2(C)C)C(C)CCC(O)C(OC7OC(CO)C(O)C(O)C7O)(C)C)C(O)C(O)C1O

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Identifiers

InChI

InChI=1S/C42H72O15/c1-19(8-9-25(47)38(4,5)57-36-33(53)31(51)29(49)23(17-44)55-36)27-21(46)15-40(7)34-20(45)14-24-37(2,3)26(56-35-32(52)30(50)28(48)22(16-43)54-35)10-11-41(24)18-42(34,41)13-12-39(27,40)6/h19-36,43-53H,8-18H2,1-7H3

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InChIKey

DTEONYNOXVCICB-UHFFFAOYSA-N

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PubChem CID

162882917

1 reference

based on heuristic

inferred from InChIKey

(Q104988238)

2-[[10,14-Dihydroxy-15-[5-hydroxy-6-methyl-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]-7,7,12,16-tetramethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

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