(Q105366467)

English

methyl (3R)-5-[(1S,8R,9R,10R,12R)-9,12-dimethyl-3-oxo-10-[(2-phenylacetyl)oxymethyl]-2-oxatricyclo[6.3.1.04,12]dodec-4-en-9-yl]-3-methylpentanoate

chemical compound

In more languages

Statements

type of chemical entity

0 references

Methyl 5-[9,12-dimethyl-3-oxo-10-[(2-phenylacetyl)oxymethyl]-2-oxatricyclo[6.3.1.04,12]dodec-4-en-9-yl]-3-methylpentanoate

1 reference

based on heuristic

inferred from SMILES

482.266838936 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₃₈O₆

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canonical SMILES

O=C1OC2CC(COC(=O)CC=3C=CC=CC3)C(C)(CCC(C)CC(=O)OC)C4CCC=C1C24C

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isomeric SMILES

COC(=O)C[C@H](C)CC[C@@]1(C)[C@H](COC(=O)Cc2ccccc2)C[C@@H]2OC(=O)C3=CCC[C@H]1[C@]32C

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Moquiniastrum paniculatum

1 reference

Dimeric sesquiterpene lactones and kolavane derivatives from Gochnatia paniculata

Identifiers

InChI=1S/C29H38O6/c1-19(15-25(30)33-4)13-14-28(2)21(18-34-26(31)16-20-9-6-5-7-10-20)17-24-29(3)22(27(32)35-24)11-8-12-23(28)29/h5-7,9-11,19,21,23-24H,8,12-18H2,1-4H3/t19-,21+,23-,24+,28+,29+/m1/s1

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YWDQSLLBRGADIX-NFGIMHRHSA-N

0 references

1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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