(Q104956314)

English

[3-hydroxy-3,4,8,8a-tetramethyl-4-[2-(5-oxo-2H-furan-3-yl)ethenyl]-2-(pyridine-3-carbonyloxy)-2,4a,5,6-tetrahydro-1H-naphthalen-1-yl] pyridine-3-carboxylate

group of stereoisomers with the chemical formula C₃₂H₃₄N₂O₇

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instance of

group of stereoisomers

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subclass of

clerodane diterpenoid

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inferred from

clerodane diterpenoid

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558.236601428 dalton

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based on heuristic

inferred from InChI

chemical formula

C₃₂H₃₄N₂O₇

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canonical SMILES

O=C1OCC(C=CC2(C)C3CCC=C(C)C3(C)C(OC(=O)C=4C=NC=CC4)C(OC(=O)C=5C=NC=CC5)C2(O)C)=C1

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Identifiers

InChI

InChI=1S/C32H34N2O7/c1-20-8-5-11-24-30(2,13-12-21-16-25(35)39-19-21)32(4,38)27(41-29(37)23-10-7-15-34-18-23)26(31(20,24)3)40-28(36)22-9-6-14-33-17-22/h6-10,12-18,24,26-27,38H,5,11,19H2,1-4H3

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InChIKey

CFCKNUOZCOKYOO-UHFFFAOYSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

CFCKNUOZCOKYOO-UHFFFAOYSA-N

1 reference

(Q104956314)

[3-hydroxy-3,4,8,8a-tetramethyl-4-[2-(5-oxo-2H-furan-3-yl)ethenyl]-2-(pyridine-3-carbonyloxy)-2,4a,5,6-tetrahydro-1H-naphthalen-1-yl] pyridine-3-carboxylate

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