(Q104953035)

English

3-[(3S)-5-[(6aR,7R,8S,9R,10aS)-9-hydroxy-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-(9-hydroxy-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

422.230453428 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₃H₃₄O₇

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canonical SMILES

O=C1OCC23C1=CCCC2C(C)(CCC(C)CCOC(=O)CC(=O)O)C(C)C(O)C3

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isomeric SMILES

C[C@H](CCOC(=O)CC(=O)O)CC[C@@]1(C)[C@H](C)[C@H](O)C[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/C23H34O7/c1-14(8-10-29-20(27)11-19(25)26)7-9-22(3)15(2)17(24)12-23-13-30-21(28)16(23)5-4-6-18(22)23/h5,14-15,17-18,24H,4,6-13H2,1-3H3,(H,25,26)/t14-,15+,17+,18+,22-,23+/m0/s1

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InChIKey

CCAVMGBTZLRHDV-GWPPXWQZSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CCAVMGBTZLRHDV-GWPPXWQZSA-N

(Q104953035)

3-[(3S)-5-[(6aR,7R,8S,9R,10aS)-9-hydroxy-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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Identifiers

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