(Q105156750)

English

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

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

9-hydroxy-9-[2-(5-methoxy-2-oxo-5H-furan-3-yl)ethyl]-4,8,10-trimethyl-2-oxatricyclo[6.3.1.0⁴,¹²]dodecane-3,5-dione

1 reference

1 reference

392.183503236 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₁H₂₈O₇

0 references

canonical SMILES

O=C1OC(OC)C=C1CCC2(O)C(C)CC3OC(=O)C4(C(=O)CCC2(C)C34)C

0 references

isomeric SMILES

CO[C@H]1C=C(CC[C@@]2(O)[C@H](C)C[C@H]3OC(=O)[C@@]4(C)C(=O)CC[C@@]2(C)[C@@H]34)C(=O)O1

0 references

found in taxon

Marrubium thessalum

1 reference

stated in

Labdane diterpenes from Marrubium thessalum

Identifiers

InChI

InChI=1S/C21H28O7/c1-11-9-13-16-19(2,7-6-14(22)20(16,3)18(24)27-13)21(11,25)8-5-12-10-15(26-4)28-17(12)23/h10-11,13,15-16,25H,5-9H2,1-4H3/t11-,13-,15-,16-,19+,20+,21-/m1/s1

0 references

InChIKey

LSTFFAPLZIYYPK-IKKYBLCUSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LSTFFAPLZIYYPK-IKKYBLCUSA-N

(Q105156750)

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

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