(Q105173720)

English

(1R,2R,4R,5Z,13R,15R,17R,19S)-17-(furan-3-yl)-19-methyl-3,9,14,16-tetraoxapentacyclo[11.5.1.01,15.02,4.07,11]nonadeca-5,7(11)-dien-8-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

17-(Furan-3-yl)-19-methyl-3,9,14,16-tetraoxapentacyclo[11.5.1.01,15.02,4.07,11]nonadeca-5,7(11)-dien-8-one

1 reference

based on heuristic

inferred from SMILES

mass

356.12598836 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1S,2S,4R,5Z,13R,15S,17S,19S)-17-(furan-3-yl)-19-methyl-3,9,14,16-tetraoxapentacyclo[11.5.1.01,15.02,4.07,11]nonadeca-5,7(11)-dien-8-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₀O₆

0 references

canonical SMILES

O=C1OCC2=C1C=CC3OC3C45CC(OC5OC(C2)C4C)C6=COC=C6

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isomeric SMILES

C[C@@H]1[C@H]2CC3=C(/C=C\[C@H]4O[C@@H]4[C@@]14C[C@H](c1ccoc1)O[C@H]4O2)C(=O)OC3

0 references

found in taxon

Salvia polystachia

1 reference

stated in

Polystachyne F, a 5,10-seco-neoclerodane from Salvia polystachya

Salvia xalapensis

1 reference

stated in

Polystachyne F, a 5,10-seco-neoclerodane from Salvia polystachya

Identifiers

InChI

InChI=1S/C20H20O6/c1-10-15-6-12-9-23-18(21)13(12)2-3-14-17(24-14)20(10)7-16(26-19(20)25-15)11-4-5-22-8-11/h2-5,8,10,14-17,19H,6-7,9H2,1H3/b3-2-/t10-,14-,15-,16-,17+,19-,20-/m1/s1

0 references

InChIKey

MWPURVLYOLKTOU-FYKWJHGJSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MWPURVLYOLKTOU-FYKWJHGJSA-N

(Q105173720)

(1R,2R,4R,5Z,13R,15R,17R,19S)-17-(furan-3-yl)-19-methyl-3,9,14,16-tetraoxapentacyclo[11.5.1.01,15.02,4.07,11]nonadeca-5,7(11)-dien-8-one

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