(Q105170096)

English

[(3S,3aR,4S,6S,6aS,9aS,9bS)-6-acetyloxy-3,6,9-trimethyl-3-[(Z)-2-methylbut-2-enoyl]oxy-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-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

[6-acetyloxy-3,6,9-trimethyl-3-(2-methylbut-2-enoyloxy)-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

488.241018112 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₃₆O₈

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canonical SMILES

O=C(OC1CC(OC(=O)C)(C)C2CC=C(C)C2C3OC(=O)C(OC(=O)C(=CC)C)(C)C13)C(=CC)C

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isomeric SMILES

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

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found in taxon

Siler montanum

1 reference

stated in

Sesquiterpene lactones from Laserpitium garganicum

Laserpitium siler

1 reference

stated in

Sesquiterpene lactones from Laserpitium garganicum

Identifiers

InChI

InChI=1S/C27H36O8/c1-9-14(3)23(29)32-19-13-26(7,34-17(6)28)18-12-11-16(5)20(18)22-21(19)27(8,25(31)33-22)35-24(30)15(4)10-2/h9-11,18-22H,12-13H2,1-8H3/b14-9-,15-10-/t18-,19-,20+,21+,22-,26-,27-/m0/s1

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InChIKey

MQLRFXKOLJMLHW-QQZDRCPTSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MQLRFXKOLJMLHW-QQZDRCPTSA-N

(Q105170096)

[(3S,3aR,4S,6S,6aS,9aS,9bS)-6-acetyloxy-3,6,9-trimethyl-3-[(Z)-2-methylbut-2-enoyl]oxy-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] (Z)-2-methylbut-2-enoate

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