(Q105255682)

English

(1R,2R,5S,6R,9S,12S,13R,19R)-6-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-2,19-dihydroxy-6,13-dimethyl-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icosa-15,17-diene-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)-2,19-dihydroxy-6,13-dimethyl-7-oxapentacyclo[10.8.0.0²,⁹.0⁵,⁹.0¹³,¹⁸]icosa-15,17-diene-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(CC(O)C6=CC=CC(=O)C65C)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](O)C6=CC=CC(=O)[C@@]65C)[C@]3(O)CC[C@@H]42)C1

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found in taxon

Physalis lagascae

1 reference

stated in

Withaphysalin E, a withanolide of Physalis minima var. indica☆

Physalis minima

1 reference

stated in

Withaphysalin E, a withanolide of Physalis minima var. indica☆

Identifiers

InChI

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

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InChIKey

SLWBVOUPUSEZHZ-MXRDNREFSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SLWBVOUPUSEZHZ-MXRDNREFSA-N

(Q105255682)

(1R,2R,5S,6R,9S,12S,13R,19R)-6-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-2,19-dihydroxy-6,13-dimethyl-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icosa-15,17-diene-8,14-dione

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Identifiers

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