(Q105016131)

English

[(1R,2R,4aS,6S,7R,8aR)-6-hydroxy-1,8a-dimethyl-5-oxo-7-prop-1-en-2-yl-1,2,3,4,4a,6,7,8-octahydronaphthalen-2-yl] (2E,4E,6E)-5-methyldodeca-2,4,6-trienoate

chemical compound

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instance of

type of chemical entity

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subclass of

(6-Hydroxy-1,8a-dimethyl-5-oxo-7-prop-1-en-2-yl-1,2,3,4,4a,6,7,8-octahydronaphthalen-2-yl) 5-methyldodeca-2,4,6-trienoate

1 reference

based on heuristic

inferred from SMILES

mass

442.308309824 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1R,2R,4aR,6R,7S,8aR)-6-hydroxy-1,8a-dimethyl-5-oxo-7-prop-1-en-2-yl-1,2,3,4,4a,6,7,8-octahydronaphthalen-2-yl] (2E,4E,6E)-5-methyldodeca-2,4,6-trienoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₈H₄₂O₄

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canonical SMILES

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

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isomeric SMILES

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

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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/C28H42O4/c1-7-8-9-10-11-13-20(4)14-12-15-25(29)32-24-17-16-23-27(31)26(30)22(19(2)3)18-28(23,6)21(24)5/h11-15,21-24,26,30H,2,7-10,16-18H2,1,3-6H3/b13-11+,15-12+,20-14+/t21-,22+,23+,24+,26-,28+/m0/s1

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InChIKey

GRKMYOFGMGYHPG-QPQNOUQHSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105016131)

[(1R,2R,4aS,6S,7R,8aR)-6-hydroxy-1,8a-dimethyl-5-oxo-7-prop-1-en-2-yl-1,2,3,4,4a,6,7,8-octahydronaphthalen-2-yl] (2E,4E,6E)-5-methyldodeca-2,4,6-trienoate

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