(Q105303146)

English

[(1S,2S,5S,7R,8R,11R,12R)-7-acetyloxy-5-methoxy-14,14-dimethyl-6-oxatetracyclo[9.2.1.04,12.08,12]tetradec-3-en-2-yl] (Z)-2-methylbut-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

(7-Acetyloxy-5-methoxy-14,14-dimethyl-6-oxatetracyclo[9.2.1.04,12.08,12]tetradec-3-en-2-yl) 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

404.219888744 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₃H₃₂O₆

0 references

canonical SMILES

O=C(OC1C=C2C(OC)OC(OC(=O)C)C3CCC4C(C)(C)C1CC234)C(=CC)C

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isomeric SMILES

C/C=C(/C)C(=O)O[C@H]1C=C2[C@@H](OC)O[C@H](OC(C)=O)[C@@H]3CC[C@@H]4C(C)(C)[C@@H]1C[C@]234

0 references

found in taxon

Perezia multiflora

1 reference

stated in

Further isocedrene derivatives and other constituents from Perezia species

Acourtia runcinata

2 references

stated in

Further isocedrene derivatives and other constituents from Perezia species

stated in

Isocedrene derivatives and other constituents from Acourtia nana

Identifiers

InChI

InChI=1S/C23H32O6/c1-7-12(2)19(25)28-17-10-15-20(26-6)29-21(27-13(3)24)14-8-9-18-22(4,5)16(17)11-23(14,15)18/h7,10,14,16-18,20-21H,8-9,11H2,1-6H3/b12-7-/t14-,16+,17-,18+,20-,21-,23+/m0/s1

0 references

InChIKey

WEMIALKTULZOFO-HIHZWKKPSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

WEMIALKTULZOFO-HIHZWKKPSA-N

(Q105303146)

[(1S,2S,5S,7R,8R,11R,12R)-7-acetyloxy-5-methoxy-14,14-dimethyl-6-oxatetracyclo[9.2.1.04,12.08,12]tetradec-3-en-2-yl] (Z)-2-methylbut-2-enoate

Statements

Identifiers

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