(Q105171659)

English

(1S,2S,5S,6R,8S,9R,12S,13R,18R,19R)-6-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-18,19-dihydroxy-8-methoxy-6,13-dimethyl-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icos-15-en-14-one

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)-18,19-dihydroxy-8-methoxy-6,13-dimethyl-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icos-15-en-14-one

1 reference

based on heuristic

inferred from SMILES

mass

500.27740362 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₄₀O₇

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canonical SMILES

O=C1OC(CC(=C1C)C)C2(OC(OC)C34CCC5C(CC(O)C6(O)CC=CC(=O)C56C)C4CCC23)C

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isomeric SMILES

CO[C@H]1O[C@@](C)([C@H]2CC(C)=C(C)C(=O)O2)[C@H]2CC[C@H]3[C@@H]4C[C@@H](O)[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]132

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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/C29H40O7/c1-15-13-23(35-24(32)16(15)2)27(4)20-9-8-19-17-14-22(31)29(33)11-6-7-21(30)26(29,3)18(17)10-12-28(19,20)25(34-5)36-27/h6-7,17-20,22-23,25,31,33H,8-14H2,1-5H3/t17-,18+,19+,20-,22-,23-,25+,26+,27-,28-,29+/m1/s1

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InChIKey

MTEZZEZYSSQMGV-CFOUUKSXSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MTEZZEZYSSQMGV-CFOUUKSXSA-N

1 reference

(Q105171659)

(1S,2S,5S,6R,8S,9R,12S,13R,18R,19R)-6-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-18,19-dihydroxy-8-methoxy-6,13-dimethyl-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icos-15-en-14-one

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