(Q105034350)

English

[(1R,2R,4aS,5R,7Z,8aR)-5-hydroxy-7-(1-hydroxypropan-2-ylidene)-1,8a-dimethyl-6-oxo-2,3,4,4a,5,8-hexahydro-1H-naphthalen-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

[5-hydroxy-7-(1-hydroxypropan-2-ylidene)-1,8a-dimethyl-6-oxo-2,3,4,4a,5,8-hexahydro-1H-naphthalen-2-yl] 5-methyldodeca-2,4,6-trienoate

1 reference

based on heuristic

inferred from SMILES

mass

458.303224444 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1R,2R,4aR,5S,7E,8aR)-5-hydroxy-7-(1-hydroxypropan-2-ylidene)-1,8a-dimethyl-6-oxo-2,3,4,4a,5,8-hexahydro-1H-naphthalen-2-yl] (2E,4E,6E)-5-methyldodeca-2,4,6-trienoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₈H₄₂O₅

0 references

canonical SMILES

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

0 references

isomeric SMILES

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

0 references

found in taxon

Senecio glanduloso-pilosus

1 reference

stated in

Eremophilene and germacrene derivatives from Senecio glanduloso-pilosus

Identifiers

InChI

InChI=1S/C28H42O5/c1-6-7-8-9-10-12-19(2)13-11-14-25(30)33-24-16-15-23-27(32)26(31)22(20(3)18-29)17-28(23,5)21(24)4/h10-14,21,23-24,27,29,32H,6-9,15-18H2,1-5H3/b12-10+,14-11+,19-13+,22-20-/t21-,23+,24+,27+,28+/m0/s1

0 references

InChIKey

HVMGZGISBALRNN-NRIFNSKLSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

HVMGZGISBALRNN-NRIFNSKLSA-N

(Q105034350)

[(1R,2R,4aS,5R,7Z,8aR)-5-hydroxy-7-(1-hydroxypropan-2-ylidene)-1,8a-dimethyl-6-oxo-2,3,4,4a,5,8-hexahydro-1H-naphthalen-2-yl] (2E,4E,6E)-5-methyldodeca-2,4,6-trienoate

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