(Q105330447)

English

(1R,5'S,8S,9R,10R,12R)-5'-(furan-3-yl)-12-(hydroxymethyl)-10-methylspiro[2-oxatricyclo[6.3.1.04,12]dodec-4-ene-9,3'-oxolane]-2',3-dione

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

chemical compound

0 references

mass

358.141638424 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1R,5'S,8R,9R,10R,12R)-5'-(furan-3-yl)-12-(hydroxymethyl)-10-methylspiro[2-oxatricyclo[6.3.1.04,12]dodec-4-ene-9,3'-oxolane]-2',3-dione

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₂O₆

0 references

canonical SMILES

O=C1OC2CC(C)C3(C(=O)OC(C4=COC=C4)C3)C5CCC=C1C25CO

0 references

isomeric SMILES

C[C@@H]1C[C@H]2OC(=O)C3=CCC[C@H]([C@@]14C[C@@H](c1ccoc1)OC4=O)[C@]32CO

0 references

found in taxon

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/C20H22O6/c1-11-7-16-20(10-21)13(17(22)26-16)3-2-4-15(20)19(11)8-14(25-18(19)23)12-5-6-24-9-12/h3,5-6,9,11,14-16,21H,2,4,7-8,10H2,1H3/t11-,14+,15-,16-,19-,20+/m1/s1

0 references

InChIKey

XLVPVNMSPILFPC-VVUMFWKYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XLVPVNMSPILFPC-VVUMFWKYSA-N

(Q105330447)

(1R,5'S,8S,9R,10R,12R)-5'-(furan-3-yl)-12-(hydroxymethyl)-10-methylspiro[2-oxatricyclo[6.3.1.04,12]dodec-4-ene-9,3'-oxolane]-2',3-dione

Statements

Identifiers

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