(Q104945857)

English

[5-Hydroxy-2-[[14-hydroxy-15-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-9-(3,4,5-trihydroxyoxan-2-yl)oxy-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-4-yl] acetate

group of stereoisomers with the chemical formula C₄₇H₇₆O₁₈

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instance of

group of stereoisomers

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subclass of

cycloartane triterpenoid

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inferred from

cycloartane triterpenoid

mass

928.5031655920005 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₄₇H₇₆O₁₈

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canonical SMILES

O=C(OC1C(O)COC(OC2CCC34CC54CCC6(C)C(C(O)CC6(C)C5CC(OC7OCC(O)C(O)C7O)C3C2(C)C)C8(OC(CC8)C(O)(C)C)C)C1OC9OCC(O)C(O)C9O)C

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Identifiers

InChI

InChI=1S/C47H76O18/c1-21(48)61-34-25(52)19-60-40(35(34)64-39-33(56)31(54)24(51)18-59-39)63-28-10-12-47-20-46(47)14-13-43(6)36(45(8)11-9-29(65-45)42(4,5)57)22(49)16-44(43,7)27(46)15-26(37(47)41(28,2)3)62-38-32(55)30(53)23(50)17-58-38/h22-40,49-57H,9-20H2,1-8H3

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InChIKey

BTTRQTJYXLOSMR-UHFFFAOYSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

BTTRQTJYXLOSMR-UHFFFAOYSA-N

1 reference

(Q104945857)

[5-Hydroxy-2-[[14-hydroxy-15-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-9-(3,4,5-trihydroxyoxan-2-yl)oxy-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-4-yl] acetate

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