(Q105348121)

English

[(1S,2S,4S,5R,6R,7S,9R,12R)-5-acetyloxy-4,12-bis(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

[5-Acetyloxy-4,12-bis(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

626.199941148 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₂H₃₄O₁₃

0 references

canonical SMILES

O=C(OC1CC(O)(C)C23OC(C)(C)C(CC(OC(=O)C=4OC=CC4)C2(C)C1OC(=O)C)C3OC(=O)C=5OC=CC5)C=6OC=CC6

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isomeric SMILES

CC(=O)O[C@H]1[C@@H](OC(=O)c2ccco2)C[C@](C)(O)[C@]23OC(C)(C)[C@H](C[C@H](OC(=O)c4ccco4)[C@]12C)[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/C32H34O13/c1-17(33)41-25-22(42-26(34)19-9-6-12-38-19)16-30(4,37)32-24(44-28(36)21-11-8-14-40-21)18(29(2,3)45-32)15-23(31(25,32)5)43-27(35)20-10-7-13-39-20/h6-14,18,22-25,37H,15-16H2,1-5H3/t18-,22+,23+,24-,25+,30+,31-,32+/m1/s1

0 references

InChIKey

YGJUWPJFQDTWFS-STJKQOCUSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YGJUWPJFQDTWFS-STJKQOCUSA-N

(Q105348121)

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

Statements

Identifiers

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