(Q104920372)

English

[(1R,4S,6S,8R,9S,13R,14R,16R)-6-(furan-3-yl)-16-methylspiro[3,5-dioxatetracyclo[6.5.3.01,9.04,8]hexadecane-13,2'-oxirane]-14-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

6'-(furan-3-yl)-16'-methyl-3',5'-dioxaspiro[oxirane-2,13'-tetracyclo[6.5.3.0¹,⁹.0⁴,⁸]hexadecan]-14'-yl acetate

1 reference

based on heuristic

inferred from SMILES

mass

388.188588616 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

[(1R,4R,6S,8R,9S,13R,14S,16R)-6-(furan-3-yl)-16-methylspiro[3,5-dioxatetracyclo[6.5.3.01,9.04,8]hexadecane-13,2'-oxirane]-14-yl] acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₂H₂₈O₆

0 references

canonical SMILES

O=C(OC1CC(C)C23CC(OC3OCC14C2CCCC54OC5)C6=COC=C6)C

0 references

isomeric SMILES

CC(=O)O[C@@H]1C[C@@H](C)[C@@]23C[C@@H](c4ccoc4)O[C@@H]2OC[C@]12[C@@H]3CCC[C@]21CO1

0 references

found in taxon

Teucrium polium

1 reference

stated in

Structure elucidation and hepatotoxicity evaluation against HepG2 human cells of neo-clerodane diterpenes from Teucrium polium L.

Identifiers

InChI

InChI=1S/C22H28O6/c1-13-8-18(27-14(2)23)22-12-25-19-21(13,9-16(28-19)15-5-7-24-10-15)17(22)4-3-6-20(22)11-26-20/h5,7,10,13,16-19H,3-4,6,8-9,11-12H2,1-2H3/t13-,16+,17-,18-,19+,20+,21-,22+/m1/s1

0 references

InChIKey

AWYKLDLAAPOPDI-LLSGRYNXSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

AWYKLDLAAPOPDI-LLSGRYNXSA-N

(Q104920372)

[(1R,4S,6S,8R,9S,13R,14R,16R)-6-(furan-3-yl)-16-methylspiro[3,5-dioxatetracyclo[6.5.3.01,9.04,8]hexadecane-13,2'-oxirane]-14-yl] acetate

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Identifiers

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