(Q105156874)

English

[(1S,3aR,5R,5aR,8aR,9S,9aR)-1,5,8a-trimethyl-2,8-dioxo-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,5-b]furan-9-yl] (2S)-2-methyloxirane-2-carboxylate

chemical compound

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instance of

type of chemical entity

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subclass of

(1,5,8a-trimethyl-2,8-dioxo-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,5-b]furan-9-yl) 2-methyloxirane-2-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

348.157288488 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₉H₂₄O₆

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canonical SMILES

O=C1OC2CC(C)C3C=CC(=O)C3(C)C(OC(=O)C4(OC4)C)C2C1C

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isomeric SMILES

C[C@@H]1C(=O)O[C@@H]2C[C@@H](C)[C@@H]3C=CC(=O)[C@@]3(C)[C@@H](OC(=O)[C@]3(C)CO3)[C@H]12

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found in taxon

Monactis macbridei

1 reference

stated in

Pseudoguajanolide und andere Sesquiterpene ausMonactis macbridei

Identifiers

InChI

InChI=1S/C19H24O6/c1-9-7-12-14(10(2)16(21)24-12)15(25-17(22)18(3)8-23-18)19(4)11(9)5-6-13(19)20/h5-6,9-12,14-15H,7-8H2,1-4H3/t9-,10+,11+,12-,14-,15+,18+,19+/m1/s1

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InChIKey

LTBNOAYVIRWLFE-KPBWYZIUSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LTBNOAYVIRWLFE-KPBWYZIUSA-N

(Q105156874)

[(1S,3aR,5R,5aR,8aR,9S,9aR)-1,5,8a-trimethyl-2,8-dioxo-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,5-b]furan-9-yl] (2S)-2-methyloxirane-2-carboxylate

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