(Q104917505)

English

(1R,2R,3S,5S,6R,7S,8S)-7-(1,3-benzodioxol-5-yl)-1,3-dimethoxy-6-methyl-5-prop-2-enylbicyclo[3.2.1]octane-2,8-diol

chemical compound

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instance of

type of chemical entity

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subclass of

7-(1,3-Benzodioxol-5-yl)-1,3-dimethoxy-6-methyl-5-prop-2-enylbicyclo[3.2.1]octane-2,8-diol

1 reference

1 reference

376.188588616 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1R,2R,3S,5S,6S,7R,8R)-7-(1,3-benzodioxol-5-yl)-1,3-dimethoxy-6-methyl-5-prop-2-enylbicyclo[3.2.1]octane-2,8-diol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(1S,2S,3R,5S,6S,7R,8R)-7-(1,3-benzodioxol-5-yl)-1,3-dimethoxy-6-methyl-5-prop-2-enylbicyclo[3.2.1]octane-2,8-diol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₁H₂₈O₆

0 references

canonical SMILES

OC1C(OC)CC2(CC=C)C(O)C1(OC)C(C3=CC=C4OCOC4=C3)C2C

0 references

isomeric SMILES

C=CC[C@]12C[C@H](OC)[C@@H](O)[C@@](OC)([C@H](c3ccc4c(c3)OCO4)[C@H]1C)[C@H]2O

0 references

found in taxon

Aniba ferrea

1 reference

stated in

Neolignans fromAniba ferrea

Identifiers

InChI

InChI=1S/C21H28O6/c1-5-8-20-10-16(24-3)18(22)21(25-4,19(20)23)17(12(20)2)13-6-7-14-15(9-13)27-11-26-14/h5-7,9,12,16-19,22-23H,1,8,10-11H2,2-4H3/t12-,16+,17+,18-,19+,20+,21+/m1/s1

0 references

InChIKey

ARPWINJFGMKMTO-WRWDFIOQSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ARPWINJFGMKMTO-WRWDFIOQSA-N

(Q104917505)

(1R,2R,3S,5S,6R,7S,8S)-7-(1,3-benzodioxol-5-yl)-1,3-dimethoxy-6-methyl-5-prop-2-enylbicyclo[3.2.1]octane-2,8-diol

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