(Q105253710)

English

2H-3,9a-Methano-1-benzoxepin-4,5,6,7,9,10-hexol, 5a-[(acetyloxy)methyl]octahydro-2,2,9-trimethyl-, 4,6,7,10-tetraacetate-5-benzoate, [3R-(3alpha,4alpha,5alpha,5aalpha,6alpha,7alpha,9beta,9aalpha,10R*)]-

group of stereoisomers with the chemical formula C₃₂H₄₀O₁₄

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Statements

instance of

group of stereoisomers

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subclass of

eudesmane sesquiterpenoid

1 reference

inferred from

eudesmane sesquiterpenoid

mass

648.24180596 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₂H₄₀O₁₄

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canonical SMILES

O=C(OC1C(OC(=O)C)C2C(OC(=O)C)C3(OC2(C)C)C(O)(C)CC(OC(=O)C)C(OC(=O)C)C13COC(=O)C)C=4C=CC=CC4

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found in taxon

Celastrus angulatus

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stated in

A new insecticidal sesquiterpene ester from Celastrus angulatus.

stated in

Insecticidal sesquiterpene polyol esters from Celastrus angulatus.

Identifiers

InChI

InChI=1S/C32H40O14/c1-16(33)40-15-31-25(43-19(4)36)22(41-17(2)34)14-30(8,39)32(31)26(44-20(5)37)23(29(6,7)46-32)24(42-18(3)35)27(31)45-28(38)21-12-10-9-11-13-21/h9-13,22-27,39H,14-15H2,1-8H3

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InChIKey

SIEZSHWOPJNWFA-UHFFFAOYSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

SIEZSHWOPJNWFA-UHFFFAOYSA-N

1 reference

(Q105253710)

2H-3,9a-Methano-1-benzoxepin-4,5,6,7,9,10-hexol, 5a-[(acetyloxy)methyl]octahydro-2,2,9-trimethyl-, 4,6,7,10-tetraacetate-5-benzoate, [3R-(3alpha,4alpha,5alpha,5aalpha,6alpha,7alpha,9beta,9aalpha,10R*)]-

Statements

Identifiers

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