(Q104922168)

English

[(1S,8S,9S,10S,13R)-6,9,10-trimethyl-4,14-dioxatetracyclo[7.5.0.01,13.03,7]tetradeca-3(7),5-dien-8-yl] (Z)-2-methylbut-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(6,9,10-Trimethyl-4,14-dioxatetracyclo[7.5.0.01,13.03,7]tetradeca-3(7),5-dien-8-yl) 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

330.183109312 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1R,8S,9S,10S,13S)-6,9,10-trimethyl-4,14-dioxatetracyclo[7.5.0.01,13.03,7]tetradeca-3(7),5-dien-8-yl] (Z)-2-methylbut-2-enoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₆O₄

0 references

canonical SMILES

O=C(OC1C2=C(OC=C2C)CC34OC4CCC(C)C13C)C(=CC)C

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isomeric SMILES

C/C=C(/C)C(=O)O[C@@H]1c2c(C)coc2C[C@@]23O[C@@H]2CC[C@H](C)[C@@]13C

0 references

found in taxon

Ligularia cyathiceps

1 reference

stated in

Chemical and Genetic Study ofLigularia cyathicepsin Yunnan Province of China

Pittocaulon praecox

1 reference

stated in

Eremophilane Derivatives from Pittocaulon praecox

Senecio conrathii

1 reference

stated in

Two sesquiterpenes from Senecio species

Identifiers

InChI

InChI=1S/C20H26O4/c1-6-11(2)18(21)23-17-16-12(3)10-22-14(16)9-20-15(24-20)8-7-13(4)19(17,20)5/h6,10,13,15,17H,7-9H2,1-5H3/b11-6-/t13-,15+,17+,19-,20+/m0/s1

0 references

InChIKey

BAHLYRYDRNWKKI-ZXPPNJHRSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BAHLYRYDRNWKKI-ZXPPNJHRSA-N

(Q104922168)

[(1S,8S,9S,10S,13R)-6,9,10-trimethyl-4,14-dioxatetracyclo[7.5.0.01,13.03,7]tetradeca-3(7),5-dien-8-yl] (Z)-2-methylbut-2-enoate

Statements

Identifiers

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