(Q105380731)

English

[(1S)-2-[(1R,2R,6S,7S,8R,11R,13S)-8,11-dihydroxy-13-methyl-12-oxospiro[9-oxatricyclo[5.3.3.01,6]tridecane-2,2'-oxirane]-7-yl]-1-(furan-3-yl)ethyl] acetate

chemical compound

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instance of

type of chemical entity

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subclass of

[2-(8,11-Dihydroxy-13-methyl-12-oxospiro[9-oxatricyclo[5.3.3.01,6]tridecane-2,2'-oxirane]-7-yl)-1-(furan-3-yl)ethyl] acetate

1 reference

1 reference

420.178417856 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₂₈O₈

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canonical SMILES

O=C(OC(C1=COC=C1)CC23C(O)OCC4(C(O)C(=O)C2C)C3CCCC54OC5)C

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isomeric SMILES

CC(=O)O[C@@H](C[C@]12[C@H](C)C(=O)[C@H](O)[C@]3(CO[C@H]1O)[C@@H]2CCC[C@]31CO1)c1ccoc1

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found in taxon

Teucrium cossonii

1 reference

stated in

Neo-clerodane diterpenoids from three species of Teucrium

Teucrium montanum

1 reference

stated in

Neo-clerodane diterpenoids from teucrium montanum

Identifiers

InChI

InChI=1S/C22H28O8/c1-12-17(24)18(25)22-11-28-19(26)21(12,16(22)4-3-6-20(22)10-29-20)8-15(30-13(2)23)14-5-7-27-9-14/h5,7,9,12,15-16,18-19,25-26H,3-4,6,8,10-11H2,1-2H3/t12-,15+,16-,18+,19-,20+,21-,22+/m1/s1

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InChIKey

ZOVARCOHEIZNCO-BZQJATGJSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ZOVARCOHEIZNCO-BZQJATGJSA-N

(Q105380731)

[(1S)-2-[(1R,2R,6S,7S,8R,11R,13S)-8,11-dihydroxy-13-methyl-12-oxospiro[9-oxatricyclo[5.3.3.01,6]tridecane-2,2'-oxirane]-7-yl]-1-(furan-3-yl)ethyl] acetate

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Identifiers

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