(Q104990748)

English

[(1S,2S,4R,7S,8R,10S)-7-acetyloxy-12-(acetyloxymethyl)-4,8-dimethyl-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-11-en-10-yl] (E)-2-methylbut-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[7-Acetyloxy-12-(acetyloxymethyl)-4,8-dimethyl-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-11-en-10-yl] 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

464.204632604 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₄H₃₂O₉

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canonical SMILES

O=C(OC1C2=C(C(=O)OC2C3OC3(C)CCC(OC(=O)C)C(C)C1)COC(=O)C)C(=CC)C

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isomeric SMILES

C/C=C(\C)C(=O)O[C@H]1C[C@@H](C)[C@@H](OC(C)=O)CC[C@@]2(C)O[C@H]2[C@H]2OC(=O)C(COC(C)=O)=C12

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found in taxon

Stilpnopappus tomentosus

1 reference

stated in

Germacranolides from Stilpnopappus species

Identifiers

InChI

InChI=1S/C24H32O9/c1-7-12(2)22(27)31-18-10-13(3)17(30-15(5)26)8-9-24(6)21(33-24)20-19(18)16(23(28)32-20)11-29-14(4)25/h7,13,17-18,20-21H,8-11H2,1-6H3/b12-7+/t13-,17+,18+,20+,21+,24-/m1/s1

0 references

InChIKey

DWTWFYBPORZJHJ-CFQNKWKJSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DWTWFYBPORZJHJ-CFQNKWKJSA-N

(Q104990748)

[(1S,2S,4R,7S,8R,10S)-7-acetyloxy-12-(acetyloxymethyl)-4,8-dimethyl-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-11-en-10-yl] (E)-2-methylbut-2-enoate

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