(Q104399683)

English

(1R,2S,5R,8S,9R,15S,17R,18S,21S,24R,26S,27R)-5,15-dihydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.1.118,27.01,5.02,24.08,17.09,14.021,26]nonacosa-11,13-diene-4,10,22,29-tetrone

chemical compound

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instance of

type of chemical entity

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1 reference

(1R,2S,5R,8S,15S,17R,26S,27S)-5,15-dihydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.1.118,27.01,5.02,24.08,17.09,14.021,26]nonacosa-11,13-diene-4,10,22,29-tetrone

1 reference

based on heuristic

inferred from SMILES

mass

526.18389716 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1R,2S,5R,8S,9R,15S,17R,18R,21S,24R,26S,27S)-5,15-dihydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.1.118,27.01,5.02,24.08,17.09,14.021,26]nonacosa-11,13-diene-4,10,22,29-tetrone

2 references

based on heuristic

inferred from InChIKey

1 reference

C₂₈H₃₀O₁₀

0 references

canonical SMILES

O=C1OC2CC3(C)C1COC45OC6(C3C4=O)C(O)(C(=O)OC26C)CCC7C5CC(O)C8=CC=CC(=O)C87C

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isomeric SMILES

C[C@@]12C[C@H]3OC(=O)[C@@H]1CO[C@@]14O[C@@]5([C@@H]2C1=O)[C@@]3(C)OC(=O)[C@@]5(O)CC[C@H]1[C@H]4C[C@H](O)C2=CC=CC(=O)[C@@]21C

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found in taxon

Physalis angulata

2 references

stated in

Isolation, structures, and structure - cytotoxic activity relationships of withanolides and physalins from Physalis angulata

stated in

Inhibition of macrophage activation and lipopolysaccaride-induced death by seco-steroids purified from Physalis angulata L.

Solanaceae

1 reference

stated in

Physalins with anti-inflammatory activity are present in Physalis alkekengi var. franchetii and can function as Michael reaction acceptors

Identifiers

InChI

InChI=1S/C28H30O10/c1-23-10-18-25(3)28-19(23)20(31)27(38-28,35-11-15(23)21(32)36-18)14-9-16(29)13-5-4-6-17(30)24(13,2)12(14)7-8-26(28,34)22(33)37-25/h4-6,12,14-16,18-19,29,34H,7-11H2,1-3H3/t12-,14+,15-,16-,18+,19+,23+,24+,25-,26-,27-,28-/m0/s1

0 references

InChIKey

CGVBSJOSWAZUIF-VVGJMHRGSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CGVBSJOSWAZUIF-VVGJMHRGSA-N

1 reference

(Q104399683)

(1R,2S,5R,8S,9R,15S,17R,18S,21S,24R,26S,27R)-5,15-dihydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.1.118,27.01,5.02,24.08,17.09,14.021,26]nonacosa-11,13-diene-4,10,22,29-tetrone

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