(Q105131821)

English

[(3R,3aR,4S,6S,8S,8aS,9aR)-6-acetyloxy-5-(acetyloxymethyl)-8-hydroxy-3,8a-dimethyl-2-oxo-3,3a,4,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-4-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

[6-Acetyloxy-5-(acetyloxymethyl)-8-hydroxy-3,8a-dimethyl-2-oxo-3,3a,4,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-4-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(COC(=O)C)C(OC(=O)C)CC(O)C2(C)CC3OC(=O)C(C)C13)C(=CC)C

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isomeric SMILES

C/C=C(\C)C(=O)O[C@@H]1C2=C(COC(C)=O)[C@@H](OC(C)=O)C[C@H](O)[C@@]2(C)C[C@H]2OC(=O)[C@H](C)[C@@H]12

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found in taxon

Wedelia acapulcensis var. hispida

1 reference

stated in

Ent-kauranes and 10α-methyl-eudesman-8αh,12-olides from wedelia calycina and wedelia hispida

Identifiers

InChI

InChI=1S/C24H32O9/c1-7-11(2)22(28)33-21-19-12(3)23(29)32-17(19)9-24(6)18(27)8-16(31-14(5)26)15(20(21)24)10-30-13(4)25/h7,12,16-19,21,27H,8-10H2,1-6H3/b11-7+/t12-,16+,17-,18+,19-,21+,24-/m1/s1

0 references

InChIKey

JNCLQRFUXBSXMH-RXHAUHDZSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

JNCLQRFUXBSXMH-RXHAUHDZSA-N

(Q105131821)

[(3R,3aR,4S,6S,8S,8aS,9aR)-6-acetyloxy-5-(acetyloxymethyl)-8-hydroxy-3,8a-dimethyl-2-oxo-3,3a,4,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-4-yl] (E)-2-methylbut-2-enoate

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Identifiers

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