(Q105285473)

English

[(1R,2S,4aR,8aR)-1-hydroxy-1,4a-dimethyl-4-oxo-7-propan-2-yl-3,5,8,8a-tetrahydro-2H-naphthalen-2-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

eudesmane sesquiterpenoid

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mass

294.183109312 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₇H₂₆O₄

0 references

canonical SMILES

O=C(OC1CC(=O)C2(C)CC=C(CC2C1(O)C)C(C)C)C

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isomeric SMILES

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

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found in taxon

Pallenis spinosa

1 reference

stated in

Dihydroxypallenone, a sesquiterpene with a new carbon skeleton fromPallenis spinosa

Identifiers

InChI

InChI=1S/C17H26O4/c1-10(2)12-6-7-16(4)13(8-12)17(5,20)15(9-14(16)19)21-11(3)18/h6,10,13,15,20H,7-9H2,1-5H3/t13-,15+,16-,17-/m1/s1

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InChIKey

VFNVULFGDFVUDV-XLNGHYISSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VFNVULFGDFVUDV-XLNGHYISSA-N

(Q105285473)

[(1R,2S,4aR,8aR)-1-hydroxy-1,4a-dimethyl-4-oxo-7-propan-2-yl-3,5,8,8a-tetrahydro-2H-naphthalen-2-yl] acetate

Statements

Identifiers

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