(Q105303658)

English

[(1S,2R,4S,5S,6R,7S,9R)-5-acetyloxy-6-(acetyloxymethyl)-2,10,10-trimethyl-7-[(E)-3-phenylprop-2-enoyl]oxy-11-oxatricyclo[7.2.1.01,6]dodecan-4-yl] butanoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

eudesmane sesquiterpenoid

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mass

570.282882924 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₂H₄₂O₉

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canonical SMILES

O=C(OC1CC2CC3(OC2(C)C)C(C)CC(OC(=O)CCC)C(OC(=O)C)C13COC(=O)C)C=CC=4C=CC=CC4

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isomeric SMILES

CCCC(=O)O[C@H]1C[C@@H](C)[C@@]23C[C@@H](C[C@H](OC(=O)/C=C/c4ccccc4)[C@]2(COC(C)=O)[C@@H]1OC(C)=O)C(C)(C)O3

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found in taxon

Celastrus flagellaris

1 reference

stated in

Natural β-Dihydroagarofuran-Type Sesquiterpenoids as Cognition-Enhancing and Neuroprotective Agents from Medicinal Plants of the Genus Celastrus

Identifiers

InChI

InChI=1S/C32H42O9/c1-7-11-27(35)39-25-16-20(2)32-18-24(30(5,6)41-32)17-26(40-28(36)15-14-23-12-9-8-10-13-23)31(32,19-37-21(3)33)29(25)38-22(4)34/h8-10,12-15,20,24-26,29H,7,11,16-19H2,1-6H3/b15-14+/t20-,24-,25+,26+,29-,31-,32+/m1/s1

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InChIKey

WEXWAUBBQRDLFS-SURVQNKLSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

WEXWAUBBQRDLFS-SURVQNKLSA-N

1 reference

(Q105303658)

[(1S,2R,4S,5S,6R,7S,9R)-5-acetyloxy-6-(acetyloxymethyl)-2,10,10-trimethyl-7-[(E)-3-phenylprop-2-enoyl]oxy-11-oxatricyclo[7.2.1.01,6]dodecan-4-yl] butanoate

Statements

Identifiers

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