(Q104972347)

English

(1R,2S,3S,5R,7S,11S,13R,15S,17R,19S)-17-(furan-3-yl)-19-methyl-4,9,14,16-tetraoxahexacyclo[11.5.1.01,15.02,11.03,5.07,11]nonadecan-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-4,9,14,16-tetraoxahexacyclo[11.5.1.01,15.02,11.03,5.07,11]nonadecan-8-one

1 reference

based on heuristic

inferred from SMILES

mass

358.141638424 dalton

1 reference

2 references

inferred from InChIKey

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

(1R,2R,3S,5R,7R,11S,13R,15R,17R,19S)-17-(furan-3-yl)-19-methyl-4,9,14,16-tetraoxahexacyclo[11.5.1.01,15.02,11.03,5.07,11]nonadecan-8-one

1 reference

based on heuristic

inferred from InChI

(1R,2S,3S,5R,7R,11S,13R,15S,17R,19S)-17-(furan-3-yl)-19-methyl-4,9,14,16-tetraoxahexacyclo[11.5.1.01,15.02,11.03,5.07,11]nonadecan-8-one

1 reference

based on heuristic

inferred from InChI

(1R,2R,3S,5R,7S,11S,13R,15R,17R,19S)-17-(furan-3-yl)-19-methyl-4,9,14,16-tetraoxahexacyclo[11.5.1.01,15.02,11.03,5.07,11]nonadecan-8-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₂O₆

0 references

canonical SMILES

O=C1OCC23CC4OC5OC(C6=COC=C6)CC5(C4C)C3C7OC7CC12

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isomeric SMILES

C[C@@H]1[C@H]2C[C@@]34COC(=O)[C@H]3C[C@H]3O[C@H]3[C@@H]4[C@@]13C[C@H](c1ccoc1)O[C@@H]3O2

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found in taxon

Salvia xalapensis

1 reference

stated in

Polystachynes A-E, five cis-neo-clerodane diterpenoids from Salvia polystachya

Identifiers

InChI

InChI=1S/C20H22O6/c1-9-13-5-19-8-23-17(21)11(19)4-12-15(24-12)16(19)20(9)6-14(26-18(20)25-13)10-2-3-22-7-10/h2-3,7,9,11-16,18H,4-6,8H2,1H3/t9-,11-,12-,13-,14-,15-,16+,18+,19-,20-/m1/s1

0 references

InChIKey

CYIQXXCGDFOHBI-MERATGMGSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CYIQXXCGDFOHBI-MERATGMGSA-N

(Q104972347)

(1R,2S,3S,5R,7S,11S,13R,15S,17R,19S)-17-(furan-3-yl)-19-methyl-4,9,14,16-tetraoxahexacyclo[11.5.1.01,15.02,11.03,5.07,11]nonadecan-8-one

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Identifiers

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