(Q105350569)

English

[(3R,3aR,6aR,9S,9aR,9bR)-3-(hydroxymethyl)-9-methyl-6-methylidene-2,8-dioxo-3a,4,5,6a,7,9,9a,9b-octahydroazuleno[4,5-b]furan-3-yl] acetate

chemical compound

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No label defined

No description defined

Statements

type of chemical entity

0 references

[3-(Hydroxymethyl)-9-methyl-6-methylidene-2,8-dioxo-3a,4,5,6a,7,9,9a,9b-octahydroazuleno[4,5-b]furan-3-yl] acetate

1 reference

based on heuristic

inferred from SMILES

322.141638424 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₇H₂₂O₆

0 references

canonical SMILES

O=C(OC1(C(=O)OC2C1CCC(=C)C3CC(=O)C(C)C23)CO)C

0 references

isomeric SMILES

C=C1CC[C@@H]2[C@H](OC(=O)[C@@]2(CO)OC(C)=O)[C@H]2[C@H](C)C(=O)C[C@@H]12

0 references

Centaurea solstitialis

1 reference

Guaianolides and lignans from Centaurea solstitialis subs Schouwii

Achillea barrelieri

2 references

3-oxa-guaianolides from Achillea millefolium

Guaianolides and lignans from Centaurea solstitialis subs Schouwii

Identifiers

InChI=1S/C17H22O6/c1-8-4-5-12-15(14-9(2)13(20)6-11(8)14)22-16(21)17(12,7-18)23-10(3)19/h9,11-12,14-15,18H,1,4-7H2,2-3H3/t9-,11+,12-,14+,15+,17+/m1/s1

0 references

YMJVBIHHYVIDTP-OBMCMEANSA-N

0 references

1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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