(Q104950459)

English

[(6aR,7R,8S,9R,10aS)-7,8-dimethyl-3-oxo-7-[2-(5-oxo-2H-furan-4-yl)ethyl]-5,6,6a,8,9,10-hexahydro-1H-benzo[d][2]benzofuran-9-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

7,8-dimethyl-3-oxo-7-[2-(2-oxo-5H-furan-3-yl)ethyl]-1H,5H,6H,6aH,8H,9H,10H-naphtho[4,4a-c]furan-9-yl acetate

1 reference

based on heuristic

inferred from SMILES

mass

388.188588616 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₂₈O₆

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canonical SMILES

O=C1OCC=C1CCC2(C)C(C)C(OC(=O)C)CC34C(=CCCC32)C(=O)OC4

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isomeric SMILES

CC(=O)O[C@@H]1C[C@@]23COC(=O)C2=CCC[C@@H]3[C@@](C)(CCC2=CCOC2=O)[C@@H]1C

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found in taxon

Salvia melissodora

1 reference

stated in

Further ent-clerodane diterpenoids from Salvia melissodora

Identifiers

InChI

InChI=1S/C22H28O6/c1-13-17(28-14(2)23)11-22-12-27-20(25)16(22)5-4-6-18(22)21(13,3)9-7-15-8-10-26-19(15)24/h5,8,13,17-18H,4,6-7,9-12H2,1-3H3/t13-,17-,18-,21+,22-/m1/s1

0 references

InChIKey

BZHFASODQUVSNS-KALBJQTESA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BZHFASODQUVSNS-KALBJQTESA-N

1 reference

(Q104950459)

[(6aR,7R,8S,9R,10aS)-7,8-dimethyl-3-oxo-7-[2-(5-oxo-2H-furan-4-yl)ethyl]-5,6,6a,8,9,10-hexahydro-1H-benzo[d][2]benzofuran-9-yl] acetate

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Identifiers

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