(Q105147252)

English

[(3S,3aR,4S,9aR,9bS)-9a-hydroxy-3,6,9-trimethyl-2,7-dioxo-3a,4,5,9b-tetrahydro-3H-azuleno[4,5-b]furan-4-yl] 3-methylbutanoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

9a-hydroxy-3,6,9-trimethyl-2,7-dioxo-3H,3aH,4H,5H,9bH-azuleno[4,5-b]furan-4-yl 3-methylbutanoate

1 reference

based on heuristic

inferred from SMILES

mass

362.172938552 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₆O₆

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canonical SMILES

O=C1C=C(C)C2(O)C1=C(C)CC(OC(=O)CC(C)C)C3C(C(=O)OC32)C

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isomeric SMILES

CC1=CC(=O)C2=C(C)C[C@H](OC(=O)CC(C)C)[C@H]3[C@H](C)C(=O)O[C@@H]3[C@@]12O

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found in taxon

Otanthus maritimus

1 reference

stated in

Highly oxygenated guaianolides from Otanthus maritimus

Identifiers

InChI

InChI=1S/C20H26O6/c1-9(2)6-15(22)25-14-7-10(3)17-13(21)8-11(4)20(17,24)18-16(14)12(5)19(23)26-18/h8-9,12,14,16,18,24H,6-7H2,1-5H3/t12-,14-,16+,18-,20+/m0/s1

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InChIKey

KXARZMGWVGLTJB-RRTUYPMLSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KXARZMGWVGLTJB-RRTUYPMLSA-N

(Q105147252)

[(3S,3aR,4S,9aR,9bS)-9a-hydroxy-3,6,9-trimethyl-2,7-dioxo-3a,4,5,9b-tetrahydro-3H-azuleno[4,5-b]furan-4-yl] 3-methylbutanoate

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Identifiers

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