(Q105221221)

English

[(1S,3S,4aR,5R,6R,8aR)-4a,5-dimethyl-6-[(Z)-2-methylbut-2-enoyl]oxy-2-oxo-3-prop-1-en-2-yl-1,3,4,5,6,7,8,8a-octahydronaphthalen-1-yl] (E)-3-methylpent-2-enoate

chemical compound

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instance of

type of chemical entity

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subclass of

[4a,5-Dimethyl-6-(2-methylbut-2-enoyloxy)-2-oxo-3-prop-1-en-2-yl-1,3,4,5,6,7,8,8a-octahydronaphthalen-1-yl] 3-methylpent-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

430.271924316 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₆H₃₈O₅

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canonical SMILES

O=C(OC1C(=O)C(C(=C)C)CC2(C)C(C)C(OC(=O)C(=CC)C)CCC12)C=C(C)CC

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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@@H]2C)[C@H](OC(=O)/C=C(\C)CC)C1=O

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found in taxon

Senecio umgeniensis

1 reference

stated in

Further pyrrolizidine alkaloids and furoeremophilanes from Senecio species

Identifiers

InChI

InChI=1S/C26H38O5/c1-9-16(5)13-22(27)31-24-20-11-12-21(30-25(29)17(6)10-2)18(7)26(20,8)14-19(15(3)4)23(24)28/h10,13,18-21,24H,3,9,11-12,14H2,1-2,4-8H3/b16-13+,17-10-/t18-,19-,20-,21+,24-,26+/m0/s1

0 references

InChIKey

QHZDVWIQIIDNDG-JIIIMHOVSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QHZDVWIQIIDNDG-JIIIMHOVSA-N

(Q105221221)

[(1S,3S,4aR,5R,6R,8aR)-4a,5-dimethyl-6-[(Z)-2-methylbut-2-enoyl]oxy-2-oxo-3-prop-1-en-2-yl-1,3,4,5,6,7,8,8a-octahydronaphthalen-1-yl] (E)-3-methylpent-2-enoate

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