(Q105132476)

English

(1S,3aR,5R,5aR,8aR,9S,9aR)-1,5,8a-trimethyl-9-[(2S)-2-methylbutoxy]-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,7-b]furan-2,8-dione

chemical compound

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instance of

type of chemical entity

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subclass of

1,5,8a-trimethyl-9-(2-methylbutoxy)-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,7-b]furan-2,8-dione

1 reference

based on heuristic

inferred from SMILES

mass

334.21440944 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₃₀O₄

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canonical SMILES

O=C1OC2CC(C)C3C=CC(=O)C3(C)C(OCC(C)CC)C2C1C

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isomeric SMILES

CC[C@H](C)CO[C@H]1[C@@H]2[C@H](C)C(=O)O[C@@H]2C[C@@H](C)[C@@H]2C=CC(=O)[C@@]12C

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found in taxon

Arnica acaulis

1 reference

stated in

Sesquiterpene lactones and other constituents of Arnica acaulis

Identifiers

InChI

InChI=1S/C20H30O4/c1-6-11(2)10-23-18-17-13(4)19(22)24-15(17)9-12(3)14-7-8-16(21)20(14,18)5/h7-8,11-15,17-18H,6,9-10H2,1-5H3/t11-,12+,13-,14-,15+,17+,18-,20-/m0/s1

0 references

InChIKey

JOPZTFJFJCQWRK-VXMQYDKJSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

JOPZTFJFJCQWRK-VXMQYDKJSA-N

(Q105132476)

(1S,3aR,5R,5aR,8aR,9S,9aR)-1,5,8a-trimethyl-9-[(2S)-2-methylbutoxy]-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,7-b]furan-2,8-dione

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Identifiers

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