(Q105348965)

English

(3aR,5'S,6aS,7R,8S,10R,10aR)-5'-(furan-3-yl)-10-hydroxy-8-methylspiro[3a,4,5,6,6a,8,9,10-octahydro-1H-benzo[d][2]benzofuran-7,3'-oxolane]-2',3-dione

chemical compound

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instance of

type of chemical entity

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subclass of

5'-(furan-3-yl)-10-hydroxy-8-methylspiro[3a,4,5,6,6a,8,9,10-octahydro-1H-benzo[d][2]benzofuran-7,3'-oxolane]-2',3-dione

1 reference

based on heuristic

inferred from SMILES

mass

360.157288488 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

(3aR,5'S,6aS,7R,8R,10S,10aR)-5'-(furan-3-yl)-10-hydroxy-8-methylspiro[3a,4,5,6,6a,8,9,10-octahydro-1H-benzo[d][2]benzofuran-7,3'-oxolane]-2',3-dione

1 reference

based on heuristic

inferred from InChI

(3aS,5'S,6aS,7R,8R,10S,10aR)-5'-(furan-3-yl)-10-hydroxy-8-methylspiro[3a,4,5,6,6a,8,9,10-octahydro-1H-benzo[d][2]benzofuran-7,3'-oxolane]-2',3-dione

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₄O₆

0 references

canonical SMILES

O=C1OCC23C(O)CC(C)C4(C(=O)OC(C5=COC=C5)C4)C3CCCC12

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isomeric SMILES

C[C@H]1C[C@@H](O)[C@@]23COC(=O)[C@@H]2CCC[C@@H]3[C@@]12C[C@@H](c1ccoc1)OC2=O

0 references

found in taxon

Teucrium pyrenaicum

1 reference

stated in

Neo-clerodane diterpenoids from Teucrium pyrenaicum and T. subspinosum

Identifiers

InChI

InChI=1S/C20H24O6/c1-11-7-16(21)20-10-25-17(22)13(20)3-2-4-15(20)19(11)8-14(26-18(19)23)12-5-6-24-9-12/h5-6,9,11,13-16,21H,2-4,7-8,10H2,1H3/t11-,13-,14-,15+,16+,19+,20-/m0/s1

0 references

InChIKey

YIPMKFWEORGSOZ-SPLYPSPSSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YIPMKFWEORGSOZ-SPLYPSPSSA-N

(Q105348965)

(3aR,5'S,6aS,7R,8S,10R,10aR)-5'-(furan-3-yl)-10-hydroxy-8-methylspiro[3a,4,5,6,6a,8,9,10-octahydro-1H-benzo[d][2]benzofuran-7,3'-oxolane]-2',3-dione

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