(Q104967985)

English

2-[2-[[15-(5,6-Dihydroxy-6-methylheptan-2-yl)-9,14-dihydroxy-7,7,12,16-tetramethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]-4,5-dihydroxyoxan-3-yl]oxyoxane-3,4,5-triol

group of stereoisomers with the chemical formula C₄₀H₆₈O₁₃

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instance of

group of stereoisomers

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subclass of

cycloartane triterpenoid

1 reference

inferred from

cycloartane triterpenoid

mass

756.4659922360003 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₄₀H₆₈O₁₃

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canonical SMILES

OC1COC(OC2C(O)C(O)COC2OC3CCC45CC65CCC7(C)C(C(O)CC7(C)C6CC(O)C4C3(C)C)C(C)CCC(O)C(O)(C)C)C(O)C1O

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Identifiers

InChI

InChI=1S/C40H68O13/c1-19(8-9-25(45)36(4,5)49)27-21(42)15-38(7)24-14-20(41)32-35(2,3)26(10-11-40(32)18-39(24,40)13-12-37(27,38)6)52-34-31(29(47)23(44)17-51-34)53-33-30(48)28(46)22(43)16-50-33/h19-34,41-49H,8-18H2,1-7H3

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InChIKey

CQGUDVRRZKLXFR-UHFFFAOYSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

CQGUDVRRZKLXFR-UHFFFAOYSA-N

1 reference

(Q104967985)

2-[2-[[15-(5,6-Dihydroxy-6-methylheptan-2-yl)-9,14-dihydroxy-7,7,12,16-tetramethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]-4,5-dihydroxyoxan-3-yl]oxyoxane-3,4,5-triol

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Identifiers

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