(Q105265945)

English

3-[(3S)-5-[(6aR,7S,8R,10aS)-7,8-dimethyl-3-oxo-5,6,6a,8,9,10-hexahydro-1H-benzo[d][2]benzofuran-7-yl]-3-methylpentoxy]-3-oxopropanoic acid

chemical compound

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instance of

type of chemical entity

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subclass of

3-[5-(7,8-dimethyl-3-oxo-5,6,6a,8,9,10-hexahydro-1H-benzo[d][2]benzofuran-7-yl)-3-methylpentoxy]-3-oxopropanoic acid

1 reference

based on heuristic

inferred from SMILES

mass

406.235538808 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₃H₃₄O₆

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canonical SMILES

O=C1OCC23C1=CCCC2C(C)(CCC(C)CCOC(=O)CC(=O)O)C(C)CC3

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isomeric SMILES

C[C@H](CCOC(=O)CC(=O)O)CC[C@@]1(C)[C@H](C)CC[C@@]23COC(=O)C2=CCC[C@@H]31

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found in taxon

Olearia teretifolia

1 reference

stated in

Clerodane and labdane derivatives from Olearia teretifolia

Identifiers

InChI

InChI=1S/C23H34O6/c1-15(9-12-28-20(26)13-19(24)25)7-10-22(3)16(2)8-11-23-14-29-21(27)17(23)5-4-6-18(22)23/h5,15-16,18H,4,6-14H2,1-3H3,(H,24,25)/t15-,16+,18+,22-,23+/m0/s1

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InChIKey

TWOCQGFTXUVTCY-XMBLCWLWSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

TWOCQGFTXUVTCY-XMBLCWLWSA-N

(Q105265945)

3-[(3S)-5-[(6aR,7S,8R,10aS)-7,8-dimethyl-3-oxo-5,6,6a,8,9,10-hexahydro-1H-benzo[d][2]benzofuran-7-yl]-3-methylpentoxy]-3-oxopropanoic acid

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