(Q105342445)

English

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

chemical compound

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instance of

type of chemical entity

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subclass of

(1-Acetyloxy-1,4a-dimethyl-6-oxo-7-propan-2-ylidene-2,3,4,5,8,8a-hexahydronaphthalen-2-yl) 2-methylbutanoate

1 reference

based on heuristic

inferred from SMILES

mass

378.240624188 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₃₄O₅

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canonical SMILES

O=C(OC1(C)C(OC(=O)C(C)CC)CCC2(C)CC(=O)C(=C(C)C)CC12)C

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

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found in taxon

Epaltes brasiliensis

1 reference

stated in

Eudesmane derivatives from Epaltes brasiliensis

Identifiers

InChI

InChI=1S/C22H34O5/c1-8-14(4)20(25)26-19-9-10-21(6)12-17(24)16(13(2)3)11-18(21)22(19,7)27-15(5)23/h14,18-19H,8-12H2,1-7H3/t14-,18-,19+,21-,22+/m1/s1

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InChIKey

XUOCIHJSRFXHHV-AKSHTRIKSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XUOCIHJSRFXHHV-AKSHTRIKSA-N

(Q105342445)

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

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