(Q27137464)

2,3-Dihydrowithaferin A (English)

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

7 October 2016

stereoisomer of

1 reference

based on heuristic

inferred from InChIKey

chemical formula

C₂₈H₄₀O₆

1 reference

2,3-Dihydrowithaferin A (English)

7 October 2016

canonical SMILES

CC1=C(C(=O)OC(C1)C(C)C2CCC3C2(CCC4C3CC5C6(C4(C(=O)CCC6O)C)O5)C)CO

1 reference

2,3-Dihydrowithaferin A (English)

7 October 2016

isomeric SMILES

CC1=C(C(=O)O[C@H](C1)[C@@H](C)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3C[C@@H]5[C@]6([C@@]4(C(=O)CC[C@@H]6O)C)O5)C)CO

1 reference

Cholinesterase inhibiting withanolides from Withania somnifera

2,3-Dihydrowithaferin A (English)

7 October 2016

3 references

Cyclooxygenase-2 enzyme inhibitory withanolides from Withania somnifera leaves

Cell Differentiation Inducing Steroids from Withania somnifera L. (DUN.).

Physalis longifolia

2 references

Cytotoxic withanolide constituents of Physalis longifolia.

Cytotoxic withanolide constituents of Physalis longifolia.

1 reference

2 references

Withanolides of Acnistus breviflorus

2,3-dihydrojaborosalactone A, a withanolide from Acnistus breviflorus

Identifiers

InChI

InChI=1S/C28H40O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h15-16,18-21,23-24,29,31H,5-13H2,1-4H3/t15-,16-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1

1 reference

2,3-Dihydrowithaferin A (English)

YRXCLNDPESBJHL-CKNDUULBSA-N

7 October 2016

InChIKey

2 references

2,3-Dihydrowithaferin A (English)

7 October 2016

ChEBI release 2020-09-01

1 reference

(4beta,5beta,6beta,22R)-4,27-Dihydroxy-5,6:22,26-diepoxyergost-24-ene-1,26-dione (English)

7 October 2016

2 references

2,3-Dihydrowithaferin A (English)

matched by identifier from

7 October 2016

InChIKey

YRXCLNDPESBJHL-CKNDUULBSA-N

Reaxys registry number

6543749

1 reference

2,3-dihydrowithaferin A (English)

7 October 2016

ChEBI ID

69124

mapping relation type

2 references

2,3-dihydrowithaferin A (English)

matched by identifier from

7 October 2016

International Chemical Identifier

InChI

InChI=1S/C28H40O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h15-16,18-21,23-24,29,31H,5-13H2,1-4H3/t15-,16-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1

1 reference