(Q105343062)

English

[1-(4-Oxo-3-oxabicyclo[3.1.1]heptan-2-yl)-1-(8,8,13,17-tetramethyl-6-oxo-7-oxatetracyclo[10.7.0.03,9.013,17]nonadeca-1(12),2,4-trien-16-yl)ethyl] acetate

group of stereoisomers with the chemical formula C₃₂H₄₂O₆

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

522.298139064 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₂H₄₂O₆

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canonical SMILES

O=C1OC(C)(C)C2C(C=C1)=CC3=C(CC2)C4(C)CCC(C(OC(=O)C)(C)C5OC(=O)C6CC5C6)C4(C)CC3

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found in taxon

Schisandra henryi

1 reference

stated in

Triterpenoids from Schisandra henryi with cytotoxic effect on leukemia and Hela cells in vitro.

Identifiers

InChI

InChI=1S/C32H42O6/c1-18(33)37-32(6,27-21-16-22(17-21)28(35)36-27)25-12-14-30(4)24-9-8-23-19(7-10-26(34)38-29(23,2)3)15-20(24)11-13-31(25,30)5/h7,10,15,21-23,25,27H,8-9,11-14,16-17H2,1-6H3

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InChIKey

XVPNHPJRBZKAFN-UHFFFAOYSA-N

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2 references

3 January 2023

inferred from InChIKey

matched by identifier from

InChIKey

XVPNHPJRBZKAFN-UHFFFAOYSA-N

(Q105343062)

[1-(4-Oxo-3-oxabicyclo[3.1.1]heptan-2-yl)-1-(8,8,13,17-tetramethyl-6-oxo-7-oxatetracyclo[10.7.0.03,9.013,17]nonadeca-1(12),2,4-trien-16-yl)ethyl] acetate

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