(Q105376399)

English

[(1S,2S,4S,5R,6R,7S,9R,12R)-4,5-diacetyloxy-12-(furan-2-carbonyloxy)-2-hydroxy-2,6,10,10-tetramethyl-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

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

1 reference

based on heuristic

inferred from SMILES

mass

574.205026528 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₃₄O₁₂

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canonical SMILES

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

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isomeric SMILES

CC(=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/C29H34O12/c1-15(30)37-20-14-27(5,34)29-22(40-25(33)19-10-8-12-36-19)17(26(3,4)41-29)13-21(28(29,6)23(20)38-16(2)31)39-24(32)18-9-7-11-35-18/h7-12,17,20-23,34H,13-14H2,1-6H3/t17-,20+,21+,22-,23+,27+,28-,29+/m1/s1

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InChIKey

ZIJTXZAMPUCYSG-HFOQERPQSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ZIJTXZAMPUCYSG-HFOQERPQSA-N

1 reference

(Q105376399)

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

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Identifiers

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