(Q104963786)

English

(1R,8R,9S,10R,12R)-9-[2-[(2R)-2-methoxy-5-oxo-2H-furan-4-yl]ethyl]-9,10,12-trimethyl-2-oxatricyclo[6.3.1.04,12]dodec-4-en-3-one

chemical compound

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instance of

type of chemical entity

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subclass of

9-[2-(2-methoxy-5-oxo-2H-furan-4-yl)ethyl]-9,10,12-trimethyl-2-oxatricyclo[6.3.1.04,12]dodec-4-en-3-one

1 reference

1 reference

360.193673996 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1S,8R,9S,10R,12S)-9-[2-[(2S)-2-methoxy-5-oxo-2H-furan-4-yl]ethyl]-9,10,12-trimethyl-2-oxatricyclo[6.3.1.04,12]dodec-4-en-3-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₁H₂₈O₅

0 references

canonical SMILES

O=C1OC(OC)C=C1CCC2(C)C(C)CC3OC(=O)C4=CCCC2C43C

0 references

isomeric SMILES

CO[C@H]1C=C(CC[C@@]2(C)[C@H](C)C[C@H]3OC(=O)C4=CCC[C@H]2[C@]43C)C(=O)O1

0 references

found in taxon

Rydingia limbata

1 reference

stated in

Four New Diterpenoids fromBallota limbata

Identifiers

InChI

InChI=1S/C21H28O5/c1-12-10-16-21(3)14(19(23)25-16)6-5-7-15(21)20(12,2)9-8-13-11-17(24-4)26-18(13)22/h6,11-12,15-17H,5,7-10H2,1-4H3/t12-,15-,16-,17-,20+,21+/m1/s1

0 references

InChIKey

CLPKJMFRRPJXHG-LKUCGDGASA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CLPKJMFRRPJXHG-LKUCGDGASA-N

(Q104963786)

(1R,8R,9S,10R,12R)-9-[2-[(2R)-2-methoxy-5-oxo-2H-furan-4-yl]ethyl]-9,10,12-trimethyl-2-oxatricyclo[6.3.1.04,12]dodec-4-en-3-one

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Identifiers

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