(Q105325353)

English

2-[2-[[14,18-Dihydroxy-15-(5-hydroxy-6-methylheptan-2-yl)-7,7,12,16-tetramethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol

group of stereoisomers with the chemical formula C₄₂H₇₂O₁₃

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Statements

instance of

group of stereoisomers

0 references

subclass of

cycloartane triterpenoid

1 reference

inferred from

cycloartane triterpenoid

mass

784.4972923640004 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₄₂H₇₂O₁₃

0 references

canonical SMILES

OCC1OC(OC2CCC34CC54C(O)CC6(C)C(C(O)CC6(C)C5CCC3C2(C)C)C(C)CCC(O)C(C)C)C(OC7OC(C)C(O)C(O)C7O)C(O)C1O

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Identifiers

InChI

InChI=1S/C42H72O13/c1-19(2)22(44)10-9-20(3)29-23(45)15-39(7)26-12-11-25-38(5,6)28(13-14-41(25)18-42(26,41)27(46)16-40(29,39)8)54-37-35(33(50)31(48)24(17-43)53-37)55-36-34(51)32(49)30(47)21(4)52-36/h19-37,43-51H,9-18H2,1-8H3

0 references

InChIKey

XCQTZRJJIAWUAR-UHFFFAOYSA-N

0 references

PubChem CID

162911057

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

XCQTZRJJIAWUAR-UHFFFAOYSA-N

(Q105325353)

2-[2-[[14,18-Dihydroxy-15-(5-hydroxy-6-methylheptan-2-yl)-7,7,12,16-tetramethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol

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Identifiers

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