(Q105160166)

English

(1R,2S,3R,5R,6S,7R)-2-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]-5-hydroxy-2-(hydroxymethyl)-3,6,7-trimethyl-9-oxatricyclo[5.2.2.01,6]undecan-8-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

2-[2-(Furan-3-yl)-2-hydroxyethyl]-5-hydroxy-2-(hydroxymethyl)-3,6,7-trimethyl-9-oxatricyclo[5.2.2.01,6]undecan-8-one

1 reference

based on heuristic

inferred from SMILES

mass

364.188588616 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₈O₆

0 references

canonical SMILES

O=C1OC23CCC1(C)C3(C)C(O)CC(C)C2(CO)CC(O)C4=COC=C4

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isomeric SMILES

C[C@@H]1C[C@@H](O)[C@]2(C)[C@@]3(C)CC[C@@]2(OC3=O)[C@@]1(CO)C[C@@H](O)c1ccoc1

0 references

found in taxon

Microglossa pyrrhopappa

4 references

stated in

Diterpenes and sesquiterpene xylosides from east africanConyza species

stated in

Rearranged clerodanes and other diterpenes fromMicroglossa pyrrhopappa

stated in

Diterpenes and sesquiterpene xylosides from east africanConyza species

stated in

Rearranged clerodanes and other diterpenes fromMicroglossa pyrrhopappa

Identifiers

InChI

InChI=1S/C20H28O6/c1-12-8-15(23)18(3)17(2)5-6-20(18,26-16(17)24)19(12,11-21)9-14(22)13-4-7-25-10-13/h4,7,10,12,14-15,21-23H,5-6,8-9,11H2,1-3H3/t12-,14-,15-,17+,18-,19-,20+/m1/s1

0 references

InChIKey

LZVVHBYVXMRDLM-UMVCSIPBSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LZVVHBYVXMRDLM-UMVCSIPBSA-N

(Q105160166)

(1R,2S,3R,5R,6S,7R)-2-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]-5-hydroxy-2-(hydroxymethyl)-3,6,7-trimethyl-9-oxatricyclo[5.2.2.01,6]undecan-8-one

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Identifiers

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