(Q105178336)

English

(1S,2R,7S,9R,11S,12S,15R,16S)-15-[(1R)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-15-hydroxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecane-3,17-dione

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

15-[1-(4,5-Dimethyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]-15-hydroxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecane-3,17-dione

1 reference

based on heuristic

inferred from SMILES

mass

470.266838936 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₈H₃₈O₆

0 references

canonical SMILES

O=C1OC(CC(=C1C)C)C(C)C2(O)CCC3C4CC5OC65CCCC(=O)C6(C)C4CC(=O)C32C

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isomeric SMILES

CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@]2(O)CC[C@H]3[C@@H]4C[C@H]5O[C@]56CCCC(=O)[C@]6(C)[C@H]4CC(=O)[C@@]32C)C1

0 references

found in taxon

Jaborosa magellanica

1 reference

stated in

(-)-Jaboromagellonine: New Withanolide from Seeds of Jaborosa magellanica

Identifiers

InChI

InChI=1S/C28H38O6/c1-14-11-20(33-24(31)15(14)2)16(3)27(32)10-8-18-17-12-23-28(34-23)9-6-7-21(29)26(28,5)19(17)13-22(30)25(18,27)4/h16-20,23,32H,6-13H2,1-5H3/t16-,17+,18+,19+,20-,23-,25-,26+,27-,28-/m1/s1

0 references

InChIKey

NEZZSDGIVRKJEM-VEZPDSMNSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NEZZSDGIVRKJEM-VEZPDSMNSA-N

(Q105178336)

(1S,2R,7S,9R,11S,12S,15R,16S)-15-[(1R)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-15-hydroxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecane-3,17-dione

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Identifiers

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