(Q104949271)

English

[(3aS,4S,5S,6Z,10E,11aR)-5-acetyloxy-6-(hydroxymethyl)-10-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-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

[5-Acetyloxy-6-(hydroxymethyl)-10-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

404.183503236 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₂₈O₇

0 references

canonical SMILES

O=C(OC1C(OC(=O)C)C(=CCCC(=CC2OC(=O)C(=C)C21)C)CO)C(=CC)C

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isomeric SMILES

C=C1C(=O)O[C@@H]2/C=C(\C)CC/C=C(/CO)[C@H](OC(C)=O)[C@@H](OC(=O)/C(C)=C\C)[C@@H]12

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found in taxon

Acanthospermum hispidum

1 reference

stated in

Germacranolides and a new type of guaianolide from Acanthospermum hispidum

Identifiers

InChI

InChI=1S/C22H28O7/c1-6-13(3)21(25)29-20-18-14(4)22(26)28-17(18)10-12(2)8-7-9-16(11-23)19(20)27-15(5)24/h6,9-10,17-20,23H,4,7-8,11H2,1-3,5H3/b12-10+,13-6-,16-9-/t17-,18+,19+,20+/m1/s1

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InChIKey

BYHHLYLWBLDLSX-WENBVPIDSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BYHHLYLWBLDLSX-WENBVPIDSA-N

1 reference

(Q104949271)

[(3aS,4S,5S,6Z,10E,11aR)-5-acetyloxy-6-(hydroxymethyl)-10-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (Z)-2-methylbut-2-enoate

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Identifiers

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