(Q105228012)

English

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

chemical compound

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instance of

type of chemical entity

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subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

416.256274252 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₅H₃₆O₅

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

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found in taxon

Senecio provincialis

1 reference

stated in

Neue eremophilene aus südafrikanischen Senecio-arten

Identifiers

InChI

InChI=1S/C25H36O5/c1-9-15(5)23(27)29-20-12-11-19-22(30-24(28)16(6)10-2)21(26)18(14(3)4)13-25(19,8)17(20)7/h9-10,17-20,22H,3,11-13H2,1-2,4-8H3/b15-9-,16-10-/t17-,18+,19+,20+,22+,25+/m0/s1

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InChIKey

QTZULONSECXBEU-CJAVWFLOSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QTZULONSECXBEU-CJAVWFLOSA-N

(Q105228012)

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

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