(Q105153991)

English

[(1R,4S,4aR,8aR)-4-hydroxy-4,8a-dimethyl-6-propan-2-yl-1,2,3,4a,5,8-hexahydronaphthalen-1-yl] 3-methylpent-2-enoate

chemical compound

In more languages

Statements

type of chemical entity

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eudesmane sesquiterpenoid

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334.250794948 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1R,4S,4aR,8aR)-4-hydroxy-4,8a-dimethyl-6-propan-2-yl-1,2,3,4a,5,8-hexahydronaphthalen-1-yl] (E)-3-methylpent-2-enoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₁H₃₄O₃

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canonical SMILES

O=C(OC1CCC(O)(C)C2CC(=CCC12C)C(C)C)C=C(C)CC

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isomeric SMILES

CCC(C)=CC(=O)O[C@@H]1CC[C@](C)(O)[C@@H]2CC(C(C)C)=CC[C@@]12C

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Curio corymbifer

1 reference

Terpen-derivate aus Senecio-arten

Identifiers

InChI=1S/C21H34O3/c1-7-15(4)12-19(22)24-18-9-11-21(6,23)17-13-16(14(2)3)8-10-20(17,18)5/h8,12,14,17-18,23H,7,9-11,13H2,1-6H3/t17-,18-,20-,21+/m1/s1

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LMHRWOCMLHBWKW-UKAVVXHISA-N

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1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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