(Q105180631)

English

(2S,4aR,6aR,10aR,10bR)-2-(furan-3-yl)-6a,10b-dimethyl-4-oxo-1,2,4a,5,6,10a-hexahydrobenzo[f]isochromene-7-carboxylic acid

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

2-(furan-3-yl)-6a,10b-dimethyl-4-oxo-1H,2H,4aH,5H,6H,10aH-naphtho[2,1-c]pyran-7-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

342.146723804 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2S,4aR,6aR,10aS,10bR)-2-(furan-3-yl)-6a,10b-dimethyl-4-oxo-1,2,4a,5,6,10a-hexahydrobenzo[f]isochromene-7-carboxylic acid

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₂O₅

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canonical SMILES

O=C(O)C1=CC=CC2C1(C)CCC3C(=O)OC(C4=COC=C4)CC23C

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isomeric SMILES

C[C@@]12CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]1C=CC=C2C(=O)O

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found in taxon

Nidorella welwitschii

1 reference

stated in

Seco-clerodanes and other diterpenes from Conyza welwitschii

Identifiers

InChI

InChI=1S/C20H22O5/c1-19-8-6-14-18(23)25-15(12-7-9-24-11-12)10-20(14,2)16(19)5-3-4-13(19)17(21)22/h3-5,7,9,11,14-16H,6,8,10H2,1-2H3,(H,21,22)/t14-,15-,16-,19-,20-/m0/s1

0 references

InChIKey

NKKNCIDSGPSJTA-UKSSEWCLSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NKKNCIDSGPSJTA-UKSSEWCLSA-N

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