(Q104990868)

English

[(1R,2R,4R,5R,9S,10S,11S,13R,14S)-2-hydroxy-2,11-dimethyl-6-methylidene-7-oxo-8,12,15-trioxapentacyclo[8.5.0.01,14.05,9.011,13]pentadecan-4-yl] (Z)-4-acetyloxy-2-methylbut-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

(2-Hydroxy-2,11-dimethyl-6-methylidene-7-oxo-8,12,15-trioxapentacyclo[8.5.0.01,14.05,9.011,13]pentadecan-4-yl) 4-acetyloxy-2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

434.157682412 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₂₆O₉

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canonical SMILES

O=C(OC1CC(O)(C)C23OC3C4OC4(C)C2C5OC(=O)C(=C)C15)C(=CCOC(=O)C)C

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isomeric SMILES

C=C1C(=O)O[C@@H]2[C@H]3[C@]4(C)O[C@@H]4[C@@H]4O[C@@]43[C@](C)(O)C[C@@H](OC(=O)/C(C)=C\COC(C)=O)[C@@H]12

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found in taxon

Calea jamaicensis

1 reference

stated in

Jamaicolides A-D, four sesquiterpene lactones from Calea jamaicensis

Identifiers

InChI

InChI=1S/C22H26O9/c1-9(6-7-27-11(3)23)18(24)28-12-8-20(4,26)22-15(14-13(12)10(2)19(25)29-14)21(5)16(30-21)17(22)31-22/h6,12-17,26H,2,7-8H2,1,3-5H3/b9-6-/t12-,13-,14+,15+,16-,17+,20-,21+,22-/m1/s1

0 references

InChIKey

DWZFVPGJRFRJDM-AFXJRBFOSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DWZFVPGJRFRJDM-AFXJRBFOSA-N

(Q104990868)

[(1R,2R,4R,5R,9S,10S,11S,13R,14S)-2-hydroxy-2,11-dimethyl-6-methylidene-7-oxo-8,12,15-trioxapentacyclo[8.5.0.01,14.05,9.011,13]pentadecan-4-yl] (Z)-4-acetyloxy-2-methylbut-2-enoate

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