(Q104956312)

English

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

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[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

1 reference

based on heuristic

inferred from SMILES

mass

558.236601428 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₂H₃₄N₂O₇

0 references

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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isomeric SMILES

CC1=CCC[C@H]2[C@@]1(C)[C@@H](OC(=O)c1cccnc1)[C@H](OC(=O)c1cccnc1)[C@](C)(O)[C@]2(C)/C=C/C1=CC(=O)OC1

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found in taxon

Scutellaria barbata

2 references

stated in

Neo-clerodane diterpenoids from Scutellaria barbata with activity against Epstein-Barr virus lytic replication

stated in

Bioactive ent-clerodane diterpenoids from Scutellaria barbata

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/b13-12+/t24-,26+,27+,30-,31+,32+/m1/s1

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InChIKey

CFCKNUOZCOKYOO-JUJIBZTHSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CFCKNUOZCOKYOO-JUJIBZTHSA-N

1 reference

(Q104956312)

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

Statements

Identifiers

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