(Q105002660)

English

Chrysanthguaianolactone B

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

(5,9,14-Trimethyl-4-oxo-3,13-dioxatetracyclo[8.4.0.02,6.012,14]tetradec-9-en-7-yl) 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

346.178023932 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1S,2S,5S,6R,7S,12R,14S)-5,9,14-trimethyl-4-oxo-3,13-dioxatetracyclo[8.4.0.02,6.012,14]tetradec-9-en-7-yl] (E)-2-methylbut-2-enoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₆O₅

0 references

canonical SMILES

O=C(OC1CC(=C2CC3OC3(C)C2C4OC(=O)C(C)C14)C)C(=CC)C

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isomeric SMILES

C/C=C(/C)C(=O)O[C@H]1CC(C)=C2C[C@H]3O[C@@]3(C)[C@@H]2[C@H]2OC(=O)[C@@H](C)[C@H]12

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found in taxon

Chrysanthemum indicum

1 reference

stated in

New Sesquiterpenes from the Flowers of Chrysanthemum indicum L.

Dendranthema indicum

1 reference

stated in

New Sesquiterpenes from the Flowers of Chrysanthemum indicum L.

Identifiers

InChI

InChI=1S/C20H26O5/c1-6-9(2)18(21)23-13-7-10(3)12-8-14-20(5,25-14)16(12)17-15(13)11(4)19(22)24-17/h6,11,13-17H,7-8H2,1-5H3/b9-6-/t11-,13-,14+,15+,16-,17-,20+/m0/s1

0 references

InChIKey

FVPCDBVTJCDTQE-APQXUMGQSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FVPCDBVTJCDTQE-APQXUMGQSA-N

1 reference

(Q105002660)

Chrysanthguaianolactone B

Statements

Identifiers

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