(Q105257247)

English

[(3aR,4S,6aR,8S,9aR,9bR)-8-hydroxy-6-methyl-3,9-dimethylidene-2-oxo-4,6a,7,8,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] (2S,3S)-2,3-diacetyloxy-2-methylbutanoate

chemical compound

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instance of

type of chemical entity

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subclass of

(8-hydroxy-6-methyl-3,9-dimethylidene-2-oxo-4,6a,7,8,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl) 2,3-diacetyloxy-2-methylbutanoate

1 reference

based on heuristic

inferred from SMILES

mass

462.18898254 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₄H₃₀O₉

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canonical SMILES

O=C1OC2C(C1=C)C(OC(=O)C(OC(=O)C)(C)C(OC(=O)C)C)C=C(C)C3CC(O)C(=C)C23

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isomeric SMILES

C=C1C(=O)O[C@H]2[C@H]1[C@@H](OC(=O)[C@@](C)(OC(C)=O)[C@H](C)OC(C)=O)C=C(C)[C@@H]1C[C@H](O)C(=C)[C@@H]12

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found in taxon

Gutenbergia cordifolia var. marginata

1 reference

stated in

Further guaianolides and 5-alkylcoumarins from gutenbergia and bothriocline species

Identifiers

InChI

InChI=1S/C24H30O9/c1-10-8-18(31-23(29)24(7,33-15(6)26)13(4)30-14(5)25)20-12(3)22(28)32-21(20)19-11(2)17(27)9-16(10)19/h8,13,16-21,27H,2-3,9H2,1,4-7H3/t13-,16-,17-,18-,19-,20+,21+,24-/m0/s1

0 references

InChIKey

SOWFMRFDQOARPW-HKHVOPKQSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SOWFMRFDQOARPW-HKHVOPKQSA-N

(Q105257247)

[(3aR,4S,6aR,8S,9aR,9bR)-8-hydroxy-6-methyl-3,9-dimethylidene-2-oxo-4,6a,7,8,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] (2S,3S)-2,3-diacetyloxy-2-methylbutanoate

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