(Q105348129)

English

[(1S,2S,6R,7R,8R,12R,14S)-8-acetyloxy-9,14-dimethyl-5-methylidene-4-oxo-3,13-dioxatetracyclo[8.4.0.02,6.012,14]tetradec-9-en-7-yl] (Z)-2-methylbut-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

8-(acetyloxy)-9,14-dimethyl-5-methylidene-4-oxo-3,13-dioxatetracyclo[8.4.0.0²,⁶.0¹²,¹⁴]tetradec-9-en-7-yl (2E)-2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

402.167853172 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₂₆O₇

0 references

canonical SMILES

O=C(OC1C(OC(=O)C)C(=C2CC3OC3(C)C2C4OC(=O)C(=C)C14)C)C(=CC)C

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isomeric SMILES

C=C1C(=O)O[C@@H]2[C@@H]3C(=C(C)[C@@H](OC(C)=O)[C@H](OC(=O)/C(C)=C\C)[C@H]12)C[C@H]1O[C@@]31C

0 references

found in taxon

Berlandiera subacaulis

1 reference

stated in

Berlandin and subacaulin, two new guaianolides from Berlandiera subacaulis

Identifiers

InChI

InChI=1S/C22H26O7/c1-7-9(2)20(24)28-19-15-11(4)21(25)27-18(15)16-13(8-14-22(16,6)29-14)10(3)17(19)26-12(5)23/h7,14-19H,4,8H2,1-3,5-6H3/b9-7-/t14-,15-,16+,17-,18+,19-,22-/m1/s1

0 references

InChIKey

YGKNWHOLEYLNDE-HUQGKDFNSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YGKNWHOLEYLNDE-HUQGKDFNSA-N

(Q105348129)

[(1S,2S,6R,7R,8R,12R,14S)-8-acetyloxy-9,14-dimethyl-5-methylidene-4-oxo-3,13-dioxatetracyclo[8.4.0.02,6.012,14]tetradec-9-en-7-yl] (Z)-2-methylbut-2-enoate

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Identifiers

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