(Q104942050)

English

2alpha-(1,3-Benzodioxole-5-yl)-4beta-(3-methoxy-4-hydroxybenzyl)tetrahydrofuran-3beta-methanol

chemical compound

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instance of

type of chemical entity

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subclass of

4-{[5-(2H-1,3-benzodioxol-5-yl)-4-(hydroxymethyl)oxolan-3-yl]methyl}-2-methoxyphenol

1 reference

based on heuristic

inferred from SMILES

mass

358.141638424 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₂O₆

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canonical SMILES

OC1=CC=C(C=C1OC)CC2COC(C3=CC=C4OCOC4=C3)C2CO

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isomeric SMILES

COc1cc(C[C@H]2CO[C@H](c3ccc4c(c3)OCO4)[C@H]2CO)ccc1O

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found in taxon

Bracteantha acuminata

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stated in

Obliquin derivatives and other constituents from Australian Helichrysum species

Machilus obovatifolia

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stated in

Cytotoxic neolignans and butanolides from Machilus obovatifolia

Xerochrysum subundulatum

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stated in

Obliquin derivatives and other constituents from Australian Helichrysum species

Bracteantha subundulata

1 reference

stated in

Obliquin derivatives and other constituents from Australian Helichrysum species

Identifiers

InChI

InChI=1S/C20H22O6/c1-23-18-7-12(2-4-16(18)22)6-14-10-24-20(15(14)9-21)13-3-5-17-19(8-13)26-11-25-17/h2-5,7-8,14-15,20-22H,6,9-11H2,1H3/t14-,15-,20+/m0/s1

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InChIKey

BPFMIGSYZMRFMB-AUSJPIAWSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BPFMIGSYZMRFMB-AUSJPIAWSA-N

1 reference

(Q104942050)

2alpha-(1,3-Benzodioxole-5-yl)-4beta-(3-methoxy-4-hydroxybenzyl)tetrahydrofuran-3beta-methanol

Statements

Identifiers

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