(Q104923692)

English

(3R)-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-methylpentanoic acid

chemical compound

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instance of

type of chemical entity

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subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

350.20932406 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₃₀O₅

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canonical SMILES

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

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isomeric SMILES

C[C@@H]1[C@H](O)C[C@@]23COC(=O)C2=CCC[C@@H]3[C@@]1(C)CC[C@@H](C)CC(=O)O

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found in taxon

Olearia teretifolia

1 reference

stated in

Clerodane and labdane derivatives from Olearia teretifolia

Identifiers

InChI

InChI=1S/C20H30O5/c1-12(9-17(22)23)7-8-19(3)13(2)15(21)10-20-11-25-18(24)14(20)5-4-6-16(19)20/h5,12-13,15-16,21H,4,6-11H2,1-3H3,(H,22,23)/t12-,13-,15-,16-,19+,20-/m1/s1

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InChIKey

BCXBTOCJMISERO-FIEGYAEPSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BCXBTOCJMISERO-FIEGYAEPSA-N

(Q104923692)

(3R)-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-methylpentanoic acid

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