(Q104909142)

English

[(3S,3aR,4S,6R,6aR,9aR,9bR)-6-hydroxy-3,6,9-trimethyl-2-oxo-3,3a,4,5,6a,7,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

0 references

1 reference

308.162373868 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(3S,3aR,4S,6R,6aR,9aR,9bS)-6-hydroxy-3,6,9-trimethyl-2-oxo-3,3a,4,5,6a,7,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₇H₂₄O₅

0 references

canonical SMILES

O=C(OC1CC(O)(C)C2CC=C(C)C2C3OC(=O)C(C)C13)C

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isomeric SMILES

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

0 references

found in taxon

Glebionis coronaria

1 reference

stated in

Sesquiterpene lactones from Chrysanthemum coronarium

Glebionis coronarium

1 reference

stated in

Sesquiterpene lactones from Chrysanthemum coronarium

Identifiers

InChI

InChI=1S/C17H24O5/c1-8-5-6-11-13(8)15-14(9(2)16(19)22-15)12(21-10(3)18)7-17(11,4)20/h5,9,11-15,20H,6-7H2,1-4H3/t9-,11+,12-,13-,14+,15+,17+/m0/s1

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InChIKey

ACKIMLHJQRKFGM-OADKUMFESA-N

0 references

CAS Registry Number

20482-39-7

1 reference

stated in

CAS (formerly Chemical Abstracts Service)

25 January 2022

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ACKIMLHJQRKFGM-OADKUMFESA-N

DSSTox substance ID

DTXSID101315946

1 reference

matched by identifier from

InChIKey

ACKIMLHJQRKFGM-OADKUMFESA-N

(Q104909142)

[(3S,3aR,4S,6R,6aR,9aR,9bR)-6-hydroxy-3,6,9-trimethyl-2-oxo-3,3a,4,5,6a,7,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] acetate

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Identifiers

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