(Q105004551)

English

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

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

360.157288488 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₄O₆

0 references

canonical SMILES

O=C1OC(C2=COC=C2)CC13C(C)CC(=O)C45COC(O)C5CCCC43

0 references

isomeric SMILES

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

0 references

found in taxon

Teucrium kotschyanum

1 reference

stated in

Neo-clerodane diterpenoids from Teucrium kotschyanum

Teucrium scorodonia

2 references

stated in

Ent-clerodane diterpenoids from six further species of Teucrium

stated in

Teuscorodin, teuscorodonin and 2-hydroxyteuscorolide, neo-clerodane diterpenoids from teucrium scorodonia

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/h5-6,9,11,13-15,17,22H,2-4,7-8,10H2,1H3/t11-,13+,14+,15-,17-,19-,20+/m1/s1

0 references

InChIKey

FYLCZEUNDKNEIK-GLIFJGHCSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FYLCZEUNDKNEIK-GLIFJGHCSA-N

(Q105004551)

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

Statements

Identifiers

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