(Q105221282)

English

[(1S,2R,7S,9R,11S,12S,15S,16R)-15-[(1R)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-1-hydroxyethyl]-2-methyl-3-oxo-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-16-yl]methyl acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[15-[1-(4,5-Dimethyl-6-oxo-2,3-dihydropyran-2-yl)-1-hydroxyethyl]-2-methyl-3-oxo-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-16-yl]methyl acetate

1 reference

based on heuristic

inferred from SMILES

mass

512.27740362 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₄₀O₇

0 references

canonical SMILES

O=C1OC(CC(=C1C)C)C(O)(C)C2CCC3C4CC5OC65CC=CC(=O)C6(C)C4CCC32COC(=O)C

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isomeric SMILES

CC(=O)OC[C@]12CC[C@H]3[C@@H](C[C@H]4O[C@]45CC=CC(=O)[C@]35C)[C@@H]1CC[C@@H]2[C@@](C)(O)[C@H]1CC(C)=C(C)C(=O)O1

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found in taxon

Physalis coztomatl

2 references

stated in

Labdanes and withanolides from Physalis coztomatl

stated in

Sucrose esters from the fruits of Physalis nicandroides var. attenuata

Identifiers

InChI

InChI=1S/C30H40O7/c1-16-13-24(36-26(33)17(16)2)28(5,34)22-9-8-21-19-14-25-30(37-25)11-6-7-23(32)27(30,4)20(19)10-12-29(21,22)15-35-18(3)31/h6-7,19-22,24-25,34H,8-15H2,1-5H3/t19-,20+,21+,22-,24-,25-,27+,28-,29-,30-/m1/s1

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InChIKey

QIBFXWZGBLJTNM-OMWDGGKISA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QIBFXWZGBLJTNM-OMWDGGKISA-N

1 reference

(Q105221282)

[(1S,2R,7S,9R,11S,12S,15S,16R)-15-[(1R)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-1-hydroxyethyl]-2-methyl-3-oxo-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-16-yl]methyl acetate

Statements

Identifiers

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