(Q105143561)

English

[(1S,2R,4aS,8aS)-1-hydroxy-1,4a-dimethyl-6-oxo-7-propan-2-ylidene-2,3,4,5,8,8a-hexahydronaphthalen-2-yl] (E)-2-methylbut-2-enoate

chemical compound

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instance of

type of chemical entity

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subclass of

(1-Hydroxy-1,4a-dimethyl-6-oxo-7-propan-2-ylidene-2,3,4,5,8,8a-hexahydronaphthalen-2-yl) 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

334.21440944 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1S,2R,4aS,8aS)-1-hydroxy-1,4a-dimethyl-6-oxo-7-propan-2-ylidene-2,3,4,5,8,8a-hexahydronaphthalen-2-yl] 2-methylbut-2-enoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

3-O-Angeloylcuauhtemone

1 reference

based on heuristic

inferred from InChI

[(1S,2S,4aR,8aR)-1-hydroxy-1,4a-dimethyl-6-oxo-7-propan-2-ylidene-2,3,4,5,8,8a-hexahydronaphthalen-2-yl] (Z)-2-methylbut-2-enoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₃₀O₄

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canonical SMILES

O=C(OC1CCC2(C)CC(=O)C(=C(C)C)CC2C1(O)C)C(=CC)C

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isomeric SMILES

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

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found in taxon

Streptoglossa odora

1 reference

stated in

Natürlich vorkommende Terpen-Derivate, 66: Über neue Inhaltsstoffe ausPluchea odorata Cass

Pluchea odorata

1 reference

stated in

Natürlich vorkommende Terpen-Derivate, 66: Über neue Inhaltsstoffe ausPluchea odorata Cass

Identifiers

InChI

InChI=1S/C20H30O4/c1-7-13(4)18(22)24-17-8-9-19(5)11-15(21)14(12(2)3)10-16(19)20(17,6)23/h7,16-17,23H,8-11H2,1-6H3/b13-7+/t16-,17+,19-,20-/m0/s1

0 references

InChIKey

KNSVBXYIPSLXCS-WLUKDPTESA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KNSVBXYIPSLXCS-WLUKDPTESA-N

(Q105143561)

[(1S,2R,4aS,8aS)-1-hydroxy-1,4a-dimethyl-6-oxo-7-propan-2-ylidene-2,3,4,5,8,8a-hexahydronaphthalen-2-yl] (E)-2-methylbut-2-enoate

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