(Q105170269)

English

[(4S,4aR,5R,6R,9aR)-4,9a-dihydroxy-3,4a,5-trimethyl-2-oxo-5,6,7,9-tetrahydro-4H-benzo[f][1]benzofuran-6-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

4,9a-dihydroxy-3,4a,5-trimethyl-2-oxo-4H,5H,6H,7H,9H-naphtho[2,3-b]furan-6-yl acetate

1 reference

based on heuristic

inferred from SMILES

mass

322.141638424 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₇H₂₂O₆

0 references

canonical SMILES

O=C1OC2(O)C(=C1C)C(O)C3(C(=CCC(OC(=O)C)C3C)C2)C

0 references

isomeric SMILES

CC(=O)O[C@@H]1CC=C2C[C@@]3(O)OC(=O)C(C)=C3[C@@H](O)[C@]2(C)[C@H]1C

0 references

found in taxon

Packera toluccana

1 reference

stated in

Eremophilanolides from Senecio toluccanus var. Modestus

Identifiers

InChI

InChI=1S/C17H22O6/c1-8-13-14(19)16(4)9(2)12(22-10(3)18)6-5-11(16)7-17(13,21)23-15(8)20/h5,9,12,14,19,21H,6-7H2,1-4H3/t9-,12+,14+,16+,17+/m0/s1

0 references

InChIKey

MQTMOQGPHULVBH-OHWGHGJPSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MQTMOQGPHULVBH-OHWGHGJPSA-N

(Q105170269)

[(4S,4aR,5R,6R,9aR)-4,9a-dihydroxy-3,4a,5-trimethyl-2-oxo-5,6,7,9-tetrahydro-4H-benzo[f][1]benzofuran-6-yl] acetate

Statements

Identifiers

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