(Q105223955)

English

(1R,2R,5S,6R,9S,12S,13R,18R,20S)-6-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-2-hydroxy-6,13-dimethyl-7,19-dioxahexacyclo[10.9.0.02,9.05,9.013,18.018,20]henicos-15-ene-8,14-dione

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

6-(4,5-Dimethyl-6-oxo-2,3-dihydropyran-2-yl)-2-hydroxy-6,13-dimethyl-7,19-dioxahexacyclo[10.9.0.02,9.05,9.013,18.018,20]henicos-15-ene-8,14-dione

1 reference

based on heuristic

inferred from SMILES

mass

482.230453428 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₈H₃₄O₇

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canonical SMILES

O=C1OC(CC(=C1C)C)C2(OC(=O)C34CCC5C(CC6OC76CC=CC(=O)C57C)C4(O)CCC23)C

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isomeric SMILES

CC1=C(C)C(=O)O[C@@H]([C@]2(C)OC(=O)[C@]34CC[C@H]5[C@@H](C[C@@H]6O[C@@]67CC=CC(=O)[C@]57C)[C@]3(O)CC[C@@H]42)C1

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found in taxon

Physalis lagascae

1 reference

stated in

Cytotoxic Withaphysalins fromPhysalis minima

Physalis minima

1 reference

stated in

Cytotoxic Withaphysalins fromPhysalis minima

Identifiers

InChI

InChI=1S/C28H34O7/c1-14-12-20(33-22(30)15(14)2)25(4)18-8-11-27(32)17-13-21-28(34-21)9-5-6-19(29)24(28,3)16(17)7-10-26(18,27)23(31)35-25/h5-6,16-18,20-21,32H,7-13H2,1-4H3/t16-,17+,18+,20+,21-,24-,25+,26+,27+,28-/m0/s1

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InChIKey

QMGITFVNGWHICO-IELFCBJFSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QMGITFVNGWHICO-IELFCBJFSA-N

(Q105223955)

(1R,2R,5S,6R,9S,12S,13R,18R,20S)-6-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-2-hydroxy-6,13-dimethyl-7,19-dioxahexacyclo[10.9.0.02,9.05,9.013,18.018,20]henicos-15-ene-8,14-dione

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Identifiers

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