(Q105369849)

English

[(1S,2S,4aR,8aR)-1-hydroxy-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-6-oxo-3,4,5,8a-tetrahydro-2H-naphthalen-2-yl] (2R)-2-methylbutanoate

chemical compound

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instance of

type of chemical entity

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subclass of

[1-hydroxy-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-6-oxo-3,4,5,8a-tetrahydro-2H-naphthalen-2-yl] 2-methylbutanoate

1 reference

based on heuristic

inferred from SMILES

mass

352.224974124 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₃₂O₅

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canonical SMILES

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

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isomeric SMILES

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

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found in taxon

Epaltes brasiliensis

1 reference

stated in

Eudesmane derivatives from Epaltes brasiliensis

Identifiers

InChI

InChI=1S/C20H32O5/c1-7-12(2)17(22)25-16-8-9-19(5)11-14(21)13(18(3,4)23)10-15(19)20(16,6)24/h10,12,15-16,23-24H,7-9,11H2,1-6H3/t12-,15-,16+,19-,20+/m1/s1

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InChIKey

ZAFNSMRSXJWAEF-VLFYUQFDSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ZAFNSMRSXJWAEF-VLFYUQFDSA-N

(Q105369849)

[(1S,2S,4aR,8aR)-1-hydroxy-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-6-oxo-3,4,5,8a-tetrahydro-2H-naphthalen-2-yl] (2R)-2-methylbutanoate

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