(Q105228619)

English

2beta-(3,4,5-Trimethoxyphenyl)-3beta-methyl-3aalpha-allyl-7aalpha-hydroxy-2,3,3a,4-tetrahydrobenzofuran-7(7aH)-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

374.172938552 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₂₆O₆

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canonical SMILES

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

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isomeric SMILES

C=CC[C@]12CC=CC(=O)[C@@]1(O)O[C@@H](c1cc(OC)c(OC)c(OC)c1)[C@H]2C

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found in taxon

Ocotea catharinensis

1 reference

stated in

Neolignans from leaves of Ocotea catharinensis

Identifiers

InChI

InChI=1S/C21H26O6/c1-6-9-20-10-7-8-17(22)21(20,23)27-18(13(20)2)14-11-15(24-3)19(26-5)16(12-14)25-4/h6-8,11-13,18,23H,1,9-10H2,2-5H3/t13-,18-,20-,21-/m1/s1

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InChIKey

QVEDXFLSTDBEMG-SRXWUYEGSA-N

0 references

2 references

26 December 2021

matched by identifier from

InChIKey

QVEDXFLSTDBEMG-SRXWUYEGSA-N

1 reference

(Q105228619)

2beta-(3,4,5-Trimethoxyphenyl)-3beta-methyl-3aalpha-allyl-7aalpha-hydroxy-2,3,3a,4-tetrahydrobenzofuran-7(7aH)-one

Statements

Identifiers

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