(Q105255757)

English

[(1S,2S,4S,5R,6R,7S,9R,12R)-5-acetyloxy-12-(furan-2-carbonyloxy)-2-hydroxy-2,6,10,10-tetramethyl-4-[(2R)-2-methylbutanoyl]oxy-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl] furan-2-carboxylate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[5-Acetyloxy-12-(furan-2-carbonyloxy)-2-hydroxy-2,6,10,10-tetramethyl-4-(2-methylbutanoyloxy)-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl] furan-2-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

616.25197672 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₂H₄₀O₁₂

0 references

canonical SMILES

O=C(OC1CC2C(OC(=O)C=3OC=CC3)C4(OC2(C)C)C(O)(C)CC(OC(=O)C(C)CC)C(OC(=O)C)C14C)C=5OC=CC5

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isomeric SMILES

CC[C@@H](C)C(=O)O[C@H]1C[C@](C)(O)[C@]23OC(C)(C)[C@H](C[C@H](OC(=O)c4ccco4)[C@]2(C)[C@H]1OC(C)=O)[C@H]3OC(=O)c1ccco1

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found in taxon

Monteverdia cuzcoina

1 reference

stated in

Anti-tumor promoting effects of sesquiterpenes from Maytenus cuzcoina (Celastraceae)

Identifiers

InChI

InChI=1S/C32H40O12/c1-8-17(2)26(34)41-22-16-30(6,37)32-24(43-28(36)21-12-10-14-39-21)19(29(4,5)44-32)15-23(31(32,7)25(22)40-18(3)33)42-27(35)20-11-9-13-38-20/h9-14,17,19,22-25,37H,8,15-16H2,1-7H3/t17-,19-,22+,23+,24-,25+,30+,31-,32+/m1/s1

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InChIKey

SLYPSUCTWQLKSZ-ZBYKSGMBSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SLYPSUCTWQLKSZ-ZBYKSGMBSA-N

(Q105255757)

[(1S,2S,4S,5R,6R,7S,9R,12R)-5-acetyloxy-12-(furan-2-carbonyloxy)-2-hydroxy-2,6,10,10-tetramethyl-4-[(2R)-2-methylbutanoyl]oxy-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl] furan-2-carboxylate

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Identifiers

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