(Q105326338)

English

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

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

eudesmane sesquiterpenoid

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mass

334.21440944 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₃₀O₄

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canonical SMILES

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

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isomeric SMILES

CC(C)=CC(=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

Tessaria integrifolia

1 reference

stated in

Cuauthemone derivatives from Tessaria integrifolia and Pluchea symphytifolia

Identifiers

InChI

InChI=1S/C20H30O4/c1-12(2)9-18(22)24-17-7-8-19(5)11-15(21)14(13(3)4)10-16(19)20(17,6)23/h9,16-17,23H,7-8,10-11H2,1-6H3/t16-,17-,19-,20+/m1/s1

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InChIKey

XEHCQFHPMQWLOZ-LFGUQSLTSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XEHCQFHPMQWLOZ-LFGUQSLTSA-N

(Q105326338)

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

Statements

Identifiers

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