(Q105385335)

English

(2R)-2beta-(1,3-Benzodioxole-5-yl)-2,3,3a,7a-tetrahydro-7abeta-hydroxy-3alpha-methyl-3aalpha-(2-propenyl)-7(4H)-benzofuranone

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

2-(1,3-benzodioxol-5-yl)-7a-hydroxy-3-methyl-3a-prop-2-enyl-3,4-dihydro-2H-1-benzofuran-7-one

1 reference

based on heuristic

inferred from SMILES

mass

328.13107374 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2R,3S,3aS,7aS)-2-(1,3-Benzodioxole-5-yl)-2,3,3a,7a-tetrahydro-7a-hydroxy-3-methyl-3a-(2-propenyl)-7(4H)-benzofuranone

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(2S)-2alpha-(1,3-Benzodioxole-5-yl)-3beta-methyl-3aalpha-allyl-7aalpha-hydroxy-2,3,3a,7a-tetrahydrobenzofuran-7(4H)-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(2S)-2alpha-(1,3-Benzodioxole-5-yl)-2,3,3a,7a-tetrahydro-7aalpha-hydroxy-3beta-methyl-3abeta-(2-propenyl)-7(4H)-benzofuranone

1 reference

based on heuristic

inferred from InChI

2beta-(1,3-Benzodioxol-5-yl)-2,3,3a,4,7,7a-hexahydro-3beta-methyl-3aalpha-allyl-7aalpha-hydroxybenzofuran-7-one

1 reference

based on heuristic

inferred from InChI

(2S,3R,3aR,7aR)-2-(1,3-Benzodioxole-5-yl)-2,3,3a,7a-tetrahydro-7a-hydroxy-3-methyl-3a-(2-propenyl)-7(4H)-benzofuranone

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₉H₂₀O₅

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canonical SMILES

O=C1C=CCC2(CC=C)C(C)C(OC12O)C3=CC=C4OCOC4=C3

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isomeric SMILES

C=CC[C@]12CC=CC(=O)[C@]1(O)O[C@@H](c1ccc3c(c1)OCO3)[C@@H]2C

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found in taxon

Ocotea aciphylla

1 reference

stated in

Neolignans from Ocotea aciphylla

Identifiers

InChI

InChI=1S/C19H20O5/c1-3-8-18-9-4-5-16(20)19(18,21)24-17(12(18)2)13-6-7-14-15(10-13)23-11-22-14/h3-7,10,12,17,21H,1,8-9,11H2,2H3/t12-,17+,18+,19-/m0/s1

0 references

InChIKey

ZWZOJVXHAOTSDM-FTNBBQJZSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ZWZOJVXHAOTSDM-FTNBBQJZSA-N

1 reference

(Q105385335)

(2R)-2beta-(1,3-Benzodioxole-5-yl)-2,3,3a,7a-tetrahydro-7abeta-hydroxy-3alpha-methyl-3aalpha-(2-propenyl)-7(4H)-benzofuranone

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