(Q105113281)

English

[(1S,1'S,2'R,5R,6S,9R)-2'-formyl-1'-methyl-10-methylidene-2,11-dioxospiro[3-oxatricyclo[7.2.1.01,6]dodecane-5,3'-cyclohexane]-1'-yl]methyl acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(2'-Formyl-1'-methyl-10-methylidene-2,11-dioxospiro[3-oxatricyclo[7.2.1.01,6]dodecane-5,3'-cyclohexane]-1'-yl)methyl acetate

1 reference

based on heuristic

inferred from SMILES

mass

388.188588616 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₂H₂₈O₆

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canonical SMILES

O=CC1C(C)(COC(=O)C)CCCC21COC(=O)C34C(=O)C(=C)C(CCC32)C4

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isomeric SMILES

C=C1C(=O)[C@]23C[C@H]1CC[C@H]2[C@@]1(CCC[C@](C)(COC(C)=O)[C@H]1C=O)COC3=O

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found in taxon

Isodon enanderianus

1 reference

stated in

Diterpenoids from Isodon enanderianus

Isodon effusus

1 reference

stated in

STRUCTURES OF EFFUSANINS, ANTIBACTERIAL DITERPENOIDS FROMRABDOSIA EFFUSA

Identifiers

InChI

InChI=1S/C22H28O6/c1-13-15-5-6-16-21(12-28-19(26)22(16,9-15)18(13)25)8-4-7-20(3,17(21)10-23)11-27-14(2)24/h10,15-17H,1,4-9,11-12H2,2-3H3/t15-,16+,17-,20-,21-,22+/m1/s1

0 references

InChIKey

IHWMCWUEIIJTJY-HVQDOZNTSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IHWMCWUEIIJTJY-HVQDOZNTSA-N

(Q105113281)

[(1S,1'S,2'R,5R,6S,9R)-2'-formyl-1'-methyl-10-methylidene-2,11-dioxospiro[3-oxatricyclo[7.2.1.01,6]dodecane-5,3'-cyclohexane]-1'-yl]methyl acetate

Statements

Identifiers

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