(Q105155870)

English

(1S,2R,7R,9S,11R,14S,15S)-14-hydroxy-15-[(1S)-1-[(1S,2R,4R,6S)-2-hydroxy-1,6-dimethyl-3,7-dioxabicyclo[4.1.0]heptan-4-yl]ethyl]-2,15-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadeca-4,12(16)-dien-3-one

chemical compound

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instance of

type of chemical entity

0 references

1 reference

14-Hydroxy-15-[1-(2-hydroxy-1,6-dimethyl-3,7-dioxabicyclo[4.1.0]heptan-4-yl)ethyl]-2,15-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadeca-4,12(16)-dien-3-one

1 reference

based on heuristic

inferred from SMILES

mass

470.266838936 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1S,2R,7R,9S,11R,14S,15S)-14-hydroxy-15-[(1S)-1-[(1S,2R,4S,6S)-2-hydroxy-1,6-dimethyl-3,7-dioxabicyclo[4.1.0]heptan-4-yl]ethyl]-2,15-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadeca-4,12(16)-dien-3-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(1S,2R,7R,9S,11R,14R,15S)-14-hydroxy-15-[(1S)-1-[(1S,2R,4R,6S)-2-hydroxy-1,6-dimethyl-3,7-dioxabicyclo[4.1.0]heptan-4-yl]ethyl]-2,15-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadeca-4,12(16)-dien-3-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₈H₃₈O₆

0 references

canonical SMILES

O=C1C=CCC23OC3CC4C5=C(CCC4C12C)C(C)(C(O)C5)C(C)C6OC(O)C7(OC7(C)C6)C

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isomeric SMILES

C[C@H]([C@H]1C[C@]2(C)O[C@]2(C)[C@H](O)O1)[C@@]1(C)C2=C(C[C@@H]1O)[C@@H]1C[C@@H]3O[C@@]34CC=CC(=O)[C@]4(C)[C@H]1CC2

0 references

found in taxon

Salpichroa origanifolia

1 reference

stated in

Withanolides from Salpichroa origanifolia

Identifiers

InChI

InChI=1S/C28H38O6/c1-14(19-13-24(2)27(5,34-24)23(31)32-19)25(3)17-8-9-18-16(15(17)11-21(25)30)12-22-28(33-22)10-6-7-20(29)26(18,28)4/h6-7,14,16,18-19,21-23,30-31H,8-13H2,1-5H3/t14-,16+,18+,19-,21+,22+,23-,24+,25+,26+,27-,28+/m1/s1

0 references

InChIKey

LQUZNDLGEHXVQV-VRQBVRTISA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LQUZNDLGEHXVQV-VRQBVRTISA-N

(Q105155870)

(1S,2R,7R,9S,11R,14S,15S)-14-hydroxy-15-[(1S)-1-[(1S,2R,4R,6S)-2-hydroxy-1,6-dimethyl-3,7-dioxabicyclo[4.1.0]heptan-4-yl]ethyl]-2,15-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadeca-4,12(16)-dien-3-one

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