(Q105125699)

English

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

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

eudesmane sesquiterpenoid

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mass

540.308703748 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₂H₄₄O₇

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canonical SMILES

O=C(OC1CC2CC3(OC2(C)C)C(C)CC(OC(=O)CCCCC)C(OC(=O)C)C13C)C=CC=4C=CC=CC4

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isomeric SMILES

CCCCCC(=O)O[C@H]1C[C@@H](C)[C@@]23C[C@@H](C[C@H](OC(=O)/C=C/c4ccccc4)[C@]2(C)[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/C32H44O7/c1-7-8-10-15-27(34)37-25-18-21(2)32-20-24(30(4,5)39-32)19-26(31(32,6)29(25)36-22(3)33)38-28(35)17-16-23-13-11-9-12-14-23/h9,11-14,16-17,21,24-26,29H,7-8,10,15,18-20H2,1-6H3/b17-16+/t21-,24-,25+,26+,29+,31-,32+/m1/s1

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InChIKey

JDRNXTHXRJQQBJ-YBXHDGJPSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

JDRNXTHXRJQQBJ-YBXHDGJPSA-N

1 reference

(Q105125699)

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

Statements

Identifiers

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