(Q105028945)

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] benzoate

chemical compound

In more languages

edit

Statements

instance of

type of chemical entity

0 references

subclass of

[5-Acetyloxy-2,6,10,10-tetramethyl-7-(3-phenylprop-2-enoyloxy)-11-oxatricyclo[7.2.1.01,6]dodecan-4-yl] benzoate

1 reference

based on heuristic

inferred from SMILES

mass

546.261753556 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₃H₃₈O₇

0 references

canonical SMILES

O=C(OC1CC2CC3(OC2(C)C)C(C)CC(OC(=O)C=4C=CC=CC4)C(OC(=O)C)C13C)C=CC=5C=CC=CC5

0 references

isomeric SMILES

CC(=O)O[C@H]1[C@@H](OC(=O)c2ccccc2)C[C@@H](C)[C@@]23C[C@@H](C[C@H](OC(=O)/C=C/c4ccccc4)[C@]12C)C(C)(C)O3

0 references

found in taxon

Celastrus flagellaris

2 references

stated in

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

stated in

Sesquiterpene Polyol Esters fromCelastrus flagellaris

Celastrus orbiculatus

1 reference

stated in

Cytotoxic dihydroagarofuranoid sesquiterpenes from the seeds of Celastrus orbiculatus

Identifiers

InChI

InChI=1S/C33H38O7/c1-21-18-26(38-30(36)24-14-10-7-11-15-24)29(37-22(2)34)32(5)27(19-25-20-33(21,32)40-31(25,3)4)39-28(35)17-16-23-12-8-6-9-13-23/h6-17,21,25-27,29H,18-20H2,1-5H3/b17-16+/t21-,25-,26+,27+,29+,32-,33+/m1/s1

0 references

InChIKey

HIOQJNDUHRMSDY-GVZHLNTISA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

HIOQJNDUHRMSDY-GVZHLNTISA-N

1 reference

(Q105028945)

[(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] benzoate

Statements

Identifiers

Sitelinks

Wikipedia(0 entries)

Wikibooks(0 entries)

Wikinews(0 entries)

Wikiquote(0 entries)

Wikisource(0 entries)

Wikiversity(0 entries)

Wikivoyage(0 entries)

Wiktionary(0 entries)

Multilingual sites(0 entries)