(Q105165778)

English

[(3aR,4S,5aR,6R,8R,9aS,9bR)-6,8-dihydroxy-5a-methyl-3,9-dimethylidene-2-oxo-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-4-yl] 2-methylpropanoate

chemical compound

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instance of

type of chemical entity

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subclass of

(6,8-Dihydroxy-5a-methyl-3,9-dimethylidene-2-oxo-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-4-yl) 2-methylpropanoate

1 reference

based on heuristic

inferred from SMILES

mass

350.172938552 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₉H₂₆O₆

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canonical SMILES

O=C1OC2C(C1=C)C(OC(=O)C(C)C)CC3(C)C(O)CC(O)C(=C)C23

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isomeric SMILES

C=C1C(=O)O[C@H]2[C@H]1[C@@H](OC(=O)C(C)C)C[C@@]1(C)[C@H](O)C[C@@H](O)C(=C)[C@H]21

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found in taxon

Chamaemelum fuscatum

1 reference

stated in

Sesquiterpene lactones and aliphatic ester from Chamaemelum fuscatum

Identifiers

InChI

InChI=1S/C19H26O6/c1-8(2)17(22)24-12-7-19(5)13(21)6-11(20)9(3)15(19)16-14(12)10(4)18(23)25-16/h8,11-16,20-21H,3-4,6-7H2,1-2,5H3/t11-,12+,13-,14-,15-,16+,19+/m1/s1

0 references

InChIKey

MJZRUYJMDZCXGT-DNDMEHIYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MJZRUYJMDZCXGT-DNDMEHIYSA-N

(Q105165778)

[(3aR,4S,5aR,6R,8R,9aS,9bR)-6,8-dihydroxy-5a-methyl-3,9-dimethylidene-2-oxo-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-4-yl] 2-methylpropanoate

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