(Q105222618)

English

[(1R,2R,4aS,5R,8aR)-5-hydroxy-1,8a-dimethyl-6-oxo-7-propan-2-ylidene-2,3,4,4a,5,8-hexahydro-1H-naphthalen-2-yl] (Z,4R)-4-[(Z)-2-methylbut-2-enoyl]oxyhex-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(5-hydroxy-1,8a-dimethyl-6-oxo-7-propan-2-ylidene-2,3,4,4a,5,8-hexahydro-1H-naphthalen-2-yl) 4-(2-methylbut-2-enoyloxy)hex-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

446.266838936 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₆H₃₈O₆

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canonical SMILES

O=C(OC1CCC2C(O)C(=O)C(=C(C)C)CC2(C)C1C)C=CC(OC(=O)C(=CC)C)CC

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isomeric SMILES

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

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found in taxon

Senecio speciosus

1 reference

stated in

Neuartige ester von eremophilen-derivaten aus südafrikanischen Senecio-arten

Identifiers

InChI

InChI=1S/C26H38O6/c1-8-16(5)25(30)31-18(9-2)10-13-22(27)32-21-12-11-20-24(29)23(28)19(15(3)4)14-26(20,7)17(21)6/h8,10,13,17-18,20-21,24,29H,9,11-12,14H2,1-7H3/b13-10-,16-8-/t17-,18+,20+,21+,24+,26+/m0/s1

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InChIKey

QJFFNTSCTSFVHA-JDOGRETFSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105222618)

[(1R,2R,4aS,5R,8aR)-5-hydroxy-1,8a-dimethyl-6-oxo-7-propan-2-ylidene-2,3,4,4a,5,8-hexahydro-1H-naphthalen-2-yl] (Z,4R)-4-[(Z)-2-methylbut-2-enoyl]oxyhex-2-enoate

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