(Q105121773)

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] (E)-3-phenylprop-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

eudesmane sesquiterpenoid

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mass

630.282882924 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₇H₄₂O₉

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canonical SMILES

O=C(OC1CC(C)C23OC(C)(C)C(CC(OC(=O)C=CC=4C=CC=CC4)C2(COC(=O)C)C1OC(=O)C)C3)C=CC=5C=CC=CC5

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isomeric SMILES

CC(=O)OC[C@]12[C@@H](OC(=O)/C=C/c3ccccc3)C[C@@H]3C[C@]1(OC3(C)C)[C@H](C)C[C@H](OC(=O)/C=C/c1ccccc1)[C@H]2OC(C)=O

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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/C37H42O9/c1-24-20-30(44-32(40)18-16-27-12-8-6-9-13-27)34(43-26(3)39)36(23-42-25(2)38)31(21-29-22-37(24,36)46-35(29,4)5)45-33(41)19-17-28-14-10-7-11-15-28/h6-19,24,29-31,34H,20-23H2,1-5H3/b18-16+,19-17+/t24-,29-,30+,31+,34-,36-,37+/m1/s1

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InChIKey

IWOSIVXDBYZGKP-GXGCFFQSSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IWOSIVXDBYZGKP-GXGCFFQSSA-N

1 reference

(Q105121773)

[(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] (E)-3-phenylprop-2-enoate

Statements

Identifiers

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