(Q105349215)

English

[(1S,5R,6R,7S,9S,11S,13S)-11-(furan-3-yl)-7-hydroxy-9,13-dimethyl-4-oxospiro[10,14-dioxatetracyclo[9.2.1.01,6.09,13]tetradecane-5,2'-oxirane]-6-yl]methyl acetate

chemical compound

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instance of

type of chemical entity

0 references

subclass of

[11-(Furan-3-yl)-7-hydroxy-9,13-dimethyl-4-oxospiro[10,14-dioxatetracyclo[9.2.1.01,6.09,13]tetradecane-5,2'-oxirane]-6-yl]methyl acetate

1 reference

based on heuristic

inferred from SMILES

mass

418.162767792 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1R,5R,6R,7S,9S,11R,13R)-11-(furan-3-yl)-7-hydroxy-9,13-dimethyl-4-oxospiro[10,14-dioxatetracyclo[9.2.1.01,6.09,13]tetradecane-5,2'-oxirane]-6-yl]methyl acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₂H₂₆O₈

0 references

canonical SMILES

O=C(OCC12C(O)CC3(OC4(OC2(CCC(=O)C51OC5)C3(C)C4)C6=COC=C6)C)C

0 references

isomeric SMILES

CC(=O)OC[C@@]12[C@@H](O)C[C@]3(C)O[C@@]4(c5ccoc5)C[C@]3(C)[C@]1(CCC(=O)[C@]21CO1)O4

0 references

found in taxon

Teucrium orientale

1 reference

stated in

Neoclerodanes from Teucrium orientale.

Identifiers

InChI

InChI=1S/C22H26O8/c1-13(23)27-11-19-16(25)8-18(3)17(2)10-21(29-18,14-5-7-26-9-14)30-22(17,19)6-4-15(24)20(19)12-28-20/h5,7,9,16,25H,4,6,8,10-12H2,1-3H3/t16-,17-,18-,19-,20+,21-,22-/m0/s1

0 references

InChIKey

YJFASSMQGOHSIM-GDLCRWSOSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YJFASSMQGOHSIM-GDLCRWSOSA-N

(Q105349215)

[(1S,5R,6R,7S,9S,11S,13S)-11-(furan-3-yl)-7-hydroxy-9,13-dimethyl-4-oxospiro[10,14-dioxatetracyclo[9.2.1.01,6.09,13]tetradecane-5,2'-oxirane]-6-yl]methyl acetate

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Identifiers

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