(Q105338039)

English

[(1S,2R,3R,5S,9S,10S,11R)-2-hydroxy-2,11-dimethyl-6-methylidene-7-oxo-8,12,13-trioxatetracyclo[9.2.2.01,10.05,9]pentadec-14-en-3-yl] acetate

chemical compound

In more languages

Statements

type of chemical entity

0 references

2-hydroxy-2,11-dimethyl-6-methylidene-7-oxo-8,12,13-trioxatetracyclo[9.2.2.0¹,¹⁰.0⁵,⁹]pentadec-14-en-3-yl acetate

1 reference

based on heuristic

inferred from SMILES

336.12090298 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1S,2R,3R,5S,9S,10R,11R)-2-hydroxy-2,11-dimethyl-6-methylidene-7-oxo-8,12,13-trioxatetracyclo[9.2.2.01,10.05,9]pentadec-14-en-3-yl] acetate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(1S,2R,3R,5R,9S,10S,11R)-2-hydroxy-2,11-dimethyl-6-methylidene-7-oxo-8,12,13-trioxatetracyclo[9.2.2.01,10.05,9]pentadec-14-en-3-yl] acetate

1 reference

based on heuristic

inferred from InChI

[(1R,2R,3R,5S,9S,10S,11S)-2-hydroxy-2,11-dimethyl-6-methylidene-7-oxo-8,12,13-trioxatetracyclo[9.2.2.01,10.05,9]pentadec-14-en-3-yl] acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₇H₂₀O₇

0 references

canonical SMILES

O=C1OC2C(C1=C)CC(OC(=O)C)C(O)(C)C34OOC(C=C3)(C)C24

0 references

isomeric SMILES

C=C1C(=O)O[C@H]2[C@H]1C[C@@H](OC(C)=O)[C@@](C)(O)[C@@]13C=C[C@@](C)(OO1)[C@H]23

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Achillea clavennae

1 reference

Cytotoxic constituents of Achillea clavennae from Montenegro.

Chrysanthemum indicum

1 reference

New Sesquiterpenes from the Flowers of Chrysanthemum indicum L.

Dendranthema indicum

1 reference

New Sesquiterpenes from the Flowers of Chrysanthemum indicum L.

Achillea distans

1 reference

Terpenoids from Achillea distans Waldst. & Kit. ex Willed

Identifiers

InChI=1S/C17H20O7/c1-8-10-7-11(21-9(2)18)16(4,20)17-6-5-15(3,23-24-17)13(17)12(10)22-14(8)19/h5-6,10-13,20H,1,7H2,2-4H3/t10-,11+,12-,13-,15+,16+,17-/m0/s1

0 references

XOZFCTKEUWXPAF-GWMRQPHLSA-N

0 references

2 references

17 September 2022

based on heuristic

inferred from InChIKey

matched by identifier from

XOZFCTKEUWXPAF-GWMRQPHLSA-N

UniChem compound ID

1 reference

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