(Q105214769)

English

[(3aS,4S,5R,6S,8Z,10R,11aR)-5-[(E)-but-2-enoyl]oxy-6-hydroxy-6,10-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,10,11,11a-hexahydrocyclodeca[b]furan-4-yl] (Z)-2-methylbut-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

(5-But-2-enoyloxy-6-hydroxy-6,10-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,10,11,11a-hexahydrocyclodeca[b]furan-4-yl) 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

446.19406792 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₄H₃₀O₈

0 references

canonical SMILES

O=C(OC1C(OC(=O)C(=CC)C)C2C(=C)C(=O)OC2CC(C=CC(=O)C1(O)C)C)C=CC

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isomeric SMILES

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

0 references

found in taxon

Calea urticifolia

1 reference

stated in

Sesquiterpene lactones of Calea zacatechichi and C. urticifolia

Identifiers

InChI

InChI=1S/C24H30O8/c1-7-9-18(26)31-21-20(32-22(27)14(4)8-2)19-15(5)23(28)30-16(19)12-13(3)10-11-17(25)24(21,6)29/h7-11,13,16,19-21,29H,5,12H2,1-4,6H3/b9-7+,11-10-,14-8-/t13-,16+,19-,20-,21+,24+/m0/s1

0 references

InChIKey

PTNFCRZTBIAHIT-IRTDVTDLSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PTNFCRZTBIAHIT-IRTDVTDLSA-N

(Q105214769)

[(3aS,4S,5R,6S,8Z,10R,11aR)-5-[(E)-but-2-enoyl]oxy-6-hydroxy-6,10-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,10,11,11a-hexahydrocyclodeca[b]furan-4-yl] (Z)-2-methylbut-2-enoate

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