(Q104396845)

English

[(1R,4S,5S,10R)-5-(3a,4,5,6a-tetrahydrofuro[2,3-b]furan-5-yl)-2-acetyloxy-4,5-dimethylspiro[9-oxatricyclo[6.2.2.01,6]dodecane-11,2'-oxirane]-10-yl] 2-methylpropanoate

group of stereoisomers with the chemical formula C₂₆H₃₆O₈

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Statements

instance of

group of stereoisomers

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subclass of

clerodane diterpenoid

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inferred from

clerodane diterpenoid

mass

476.241018112 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₆H₃₆O₈

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canonical SMILES

O=C(OC1CC(C)C(C)(C2OC3OC=CC3C2)C4CC5OC(OC(=O)C(C)C)C14C6(OC6)C5)C

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isomeric SMILES

CC(=O)OC1C[C@H](C)[C@](C)(C2CC3C=COC3O2)C2CC3CC4(CO4)[C@]12[C@@H](OC(=O)C(C)C)O3

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found in taxon

Scutellaria galericulata

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stated in

Neo-clerodane insect antifeedants from Scutellaria galericulata

Scutellaria caucasica

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stated in

Minor diterpenoids from Scutellaria galericulata

Identifiers

InChI

InChI=1S/C26H36O8/c1-13(2)21(28)34-23-26-18(10-17(32-23)11-25(26)12-30-25)24(5,14(3)8-20(26)31-15(4)27)19-9-16-6-7-29-22(16)33-19/h6-7,13-14,16-20,22-23H,8-12H2,1-5H3/t14-,16?,17?,18?,19?,20?,22?,23+,24-,25?,26-/m0/s1

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InChIKey

YLVIOFHEIFHWJO-ZJVVETIXSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

YLVIOFHEIFHWJO-ZJVVETIXSA-N

1 reference

(Q104396845)

[(1R,4S,5S,10R)-5-(3a,4,5,6a-tetrahydrofuro[2,3-b]furan-5-yl)-2-acetyloxy-4,5-dimethylspiro[9-oxatricyclo[6.2.2.01,6]dodecane-11,2'-oxirane]-10-yl] 2-methylpropanoate

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Identifiers

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