(Q105158274)

English

[(7S,8S,9R)-9-(1,3-benzodioxol-5-yl)-9-hydroxy-7,8-dimethyl-7,8-dihydro-6H-benzo[g][1,3]benzodioxol-6-yl] acetate

group of stereoisomers with the chemical formula C₂₂H₂₂O₇

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

398.136553044 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₂₂O₇

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canonical SMILES

O=C(OC1C2=CC=C3OCOC3=C2C(O)(C4=CC=C5OCOC5=C4)C(C)C1C)C

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isomeric SMILES

CC(=O)OC1c2ccc3c(c2[C@](O)(c2ccc4c(c2)OCO4)[C@@H](C)[C@@H]1C)OCO3

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found in taxon

Virola sebifera

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stated in

1,11-diarylundecan-1-one and 4-aryltetralone neolignans from Virola sebifera

Identifiers

InChI

InChI=1S/C22H22O7/c1-11-12(2)22(24,14-4-6-16-18(8-14)27-9-25-16)19-15(20(11)29-13(3)23)5-7-17-21(19)28-10-26-17/h4-8,11-12,20,24H,9-10H2,1-3H3/t11-,12-,20?,22+/m0/s1

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InChIKey

LWGQAENPDGXGNI-ZBWQCWSKSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LWGQAENPDGXGNI-ZBWQCWSKSA-N

(Q105158274)

[(7S,8S,9R)-9-(1,3-benzodioxol-5-yl)-9-hydroxy-7,8-dimethyl-7,8-dihydro-6H-benzo[g][1,3]benzodioxol-6-yl] acetate

Statements

Identifiers

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