(Q104917278)

English

(1S,2R,7R,9S,11R)-13-hydroxy-15-[(1S)-1-[(1S,2R,4R,6S)-2-hydroxy-1,6-dimethyl-3,7-dioxabicyclo[4.1.0]heptan-4-yl]ethyl]-2-methyl-8-oxapentacyclo[9.8.0.02,7.07,9.012,17]nonadeca-4,12(17),13,15-tetraen-3-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

13-Hydroxy-15-[1-(2-hydroxy-1,6-dimethyl-3,7-dioxabicyclo[4.1.0]heptan-4-yl)ethyl]-2-methyl-8-oxapentacyclo[9.8.0.02,7.07,9.012,17]nonadeca-4,12(17),13,15-tetraen-3-one

1 reference

based on heuristic

inferred from SMILES

mass

466.235538808 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1S,2R,7R,9S,11R)-13-hydroxy-15-[(1S)-1-[(1S,2R,4S,6S)-2-hydroxy-1,6-dimethyl-3,7-dioxabicyclo[4.1.0]heptan-4-yl]ethyl]-2-methyl-8-oxapentacyclo[9.8.0.02,7.07,9.012,17]nonadeca-4,12(17),13,15-tetraen-3-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(1R,2R,7R,9S,11R)-13-hydroxy-15-[(1S)-1-[(1S,2R,4S,6S)-2-hydroxy-1,6-dimethyl-3,7-dioxabicyclo[4.1.0]heptan-4-yl]ethyl]-2-methyl-8-oxapentacyclo[9.8.0.02,7.07,9.012,17]nonadeca-4,12(17),13,15-tetraen-3-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₈H₃₄O₆

0 references

canonical SMILES

O=C1C=CCC23OC3CC4C5=C(O)C=C(C=C5CCC4C12C)C(C)C6OC(O)C7(OC7(C)C6)C

0 references

isomeric SMILES

C[C@@H](c1cc(O)c2c(c1)CC[C@H]1[C@H]2C[C@@H]2O[C@@]23CC=CC(=O)[C@]13C)[C@H]1C[C@]2(C)O[C@]2(C)[C@H](O)O1

0 references

found in taxon

Salpichroa origanifolia

2 references

stated in

Antifeedant activity of withanolides from Salpichroa origanifolia on Musca domestica.

stated in

New Hydroxylated Withanolides from Salpichroa origanifolia

Identifiers

InChI

InChI=1S/C28H34O6/c1-14(20-13-25(2)27(4,34-25)24(31)32-20)16-10-15-7-8-18-17(23(15)19(29)11-16)12-22-28(33-22)9-5-6-21(30)26(18,28)3/h5-6,10-11,14,17-18,20,22,24,29,31H,7-9,12-13H2,1-4H3/t14-,17+,18-,20+,22-,24+,25-,26-,27+,28-/m0/s1

0 references

InChIKey

ARFKQZFIEWFLNC-JNLDEGNVSA-N

0 references

2 references

26 December 2021

matched by identifier from

InChIKey

ARFKQZFIEWFLNC-JNLDEGNVSA-N

1 reference

(Q104917278)

(1S,2R,7R,9S,11R)-13-hydroxy-15-[(1S)-1-[(1S,2R,4R,6S)-2-hydroxy-1,6-dimethyl-3,7-dioxabicyclo[4.1.0]heptan-4-yl]ethyl]-2-methyl-8-oxapentacyclo[9.8.0.02,7.07,9.012,17]nonadeca-4,12(17),13,15-tetraen-3-one

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