(Q105323415)

English

(3R,5S,3'aR,10'aR)-5-(3-Furyl)-8'alpha-methyl-4,5,4',5',6',6'abeta-hexahydrospiro[furan-3(2H),7'(8'H)-naphtho[1,8a-c]furan]-2,3',10'(3a'H,9'H)-trione

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

5'-(Furan-3-yl)-8-methylspiro[1,3a,4,5,6,6a,8,9-octahydrobenzo[d][2]benzofuran-7,3'-oxolane]-2',3,10-trione

1 reference

based on heuristic

inferred from SMILES

mass

358.141638424 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₂O₆

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

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found in taxon

Teucrium bidentatum

1 reference

stated in

A neo-clerodane diterpenoid from Teucrium bidentatum

Teucrium montbretii

1 reference

stated in

Neoclerodane diterpenoids from Teucrium montbretii subsp. libanoticum and their absolute configuration.

Identifiers

InChI

InChI=1S/C20H22O6/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/h5-6,9,11,13-15H,2-4,7-8,10H2,1H3/t11-,13+,14+,15-,19-,20+/m1/s1

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InChIKey

WZRICMNGPGNPSX-FHTIFFCLSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

WZRICMNGPGNPSX-FHTIFFCLSA-N

1 reference

(Q105323415)

(3R,5S,3'aR,10'aR)-5-(3-Furyl)-8'alpha-methyl-4,5,4',5',6',6'abeta-hexahydrospiro[furan-3(2H),7'(8'H)-naphtho[1,8a-c]furan]-2,3',10'(3a'H,9'H)-trione

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