(Q105149035)

English

[3-Acetyloxy-5-hydroxy-2-[[15-hydroxy-15-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-9-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]oxan-4-yl] acetate

group of stereoisomers with the chemical formula C₄₅H₇₂O₁₆

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instance of

group of stereoisomers

0 references

subclass of

cycloartane triterpenoid

1 reference

inferred from

cycloartane triterpenoid

mass

868.4820362240005 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₄₅H₇₂O₁₆

0 references

canonical SMILES

O=C(OC1C(O)COC(OC2CCC34CC54CCC6(C)C(O)(CCC6(C)C5CC(OC7OC(CO)C(O)C(O)C7O)C3C2(C)C)C8(OC(CC8)C(O)(C)C)C)C1OC(=O)C)C

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Identifiers

InChI

InChI=1S/C45H72O16/c1-22(47)56-33-24(49)20-55-37(34(33)57-23(2)48)60-28-11-13-44-21-43(44)16-15-41(8)40(7,14-17-45(41,54)42(9)12-10-29(61-42)39(5,6)53)27(43)18-25(35(44)38(28,3)4)58-36-32(52)31(51)30(50)26(19-46)59-36/h24-37,46,49-54H,10-21H2,1-9H3

0 references

InChIKey

LAWPHHZXTUPSDG-UHFFFAOYSA-N

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PubChem CID

163070393

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

LAWPHHZXTUPSDG-UHFFFAOYSA-N

(Q105149035)

[3-Acetyloxy-5-hydroxy-2-[[15-hydroxy-15-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-9-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]oxan-4-yl] acetate

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