(Q105132571)

English

[(3S,3aR,4S,6S,6aS,9aS,9bS)-3-acetyloxy-6-hydroxy-3,6,9-trimethyl-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] (2R)-2-methylbutanoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(3-acetyloxy-6-hydroxy-3,6,9-trimethyl-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl) 2-methylbutanoate

1 reference

based on heuristic

inferred from SMILES

mass

408.214803364 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₃₂O₇

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canonical SMILES

O=C(OC1(C(=O)OC2C3C(=CCC3C(O)(C)CC(OC(=O)C(C)CC)C21)C)C)C

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isomeric SMILES

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

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found in taxon

Laserpitium siler

1 reference

stated in

Components of the extract from the underground parts of Laserpitium siler L. of slovenian origin, mainly sesquiterpenic lactones

Siler montanum

1 reference

stated in

Components of the extract from the underground parts of Laserpitium siler L. of slovenian origin, mainly sesquiterpenic lactones

Identifiers

InChI

InChI=1S/C22H32O7/c1-7-11(2)19(24)27-15-10-21(5,26)14-9-8-12(3)16(14)18-17(15)22(6,20(25)28-18)29-13(4)23/h8,11,14-18,26H,7,9-10H2,1-6H3/t11-,14+,15+,16-,17-,18+,21+,22+/m1/s1

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InChIKey

JOWYYORWZXUMDV-IAFWTCKBSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

JOWYYORWZXUMDV-IAFWTCKBSA-N

(Q105132571)

[(3S,3aR,4S,6S,6aS,9aS,9bS)-3-acetyloxy-6-hydroxy-3,6,9-trimethyl-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] (2R)-2-methylbutanoate

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Identifiers

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