(Q105002415)

English

[(1R)-1-[(1S,3S,8S,13R,14S,17R,18E,20E,24S,25R,26R)-13,14-dihydroxy-5,13,25-trimethyl-11,22-dioxospiro[2,10,16,23-tetraoxatetracyclo[22.2.1.03,8.08,25]heptacosa-4,18,20-triene-26,2'-oxirane]-17-yl]ethyl] acetate

chemical compound

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instance of

type of chemical entity

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subclass of

1-[(18'Z,20'Z)-13',14'-dihydroxy-5',13',25'-trimethyl-11',22'-dioxo-2',10',16',23'-tetraoxaspiro[oxirane-2,26'-tetracyclo[22.2.1.0³,⁸.0⁸,²⁵]heptacosane]-4',18',20'-trien-17'-yl]ethyl acetate

1 reference

1 reference

590.272712164 dalton

1 reference

1 reference

C₃₁H₄₂O₁₁

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canonical SMILES

O=C1OC2CC3OC4C=C(C)CCC4(COC(=O)CC(O)(C)C(O)COC(C=CC=C1)C(OC(=O)C)C)C2(C)C53OC5

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isomeric SMILES

CC(=O)O[C@H](C)[C@H]1/C=C/C=C/C(=O)O[C@H]2C[C@@H]3O[C@H]4C=C(C)CC[C@@]4(COC(=O)C[C@@](C)(O)[C@@H](O)CO1)[C@@]2(C)[C@@]31CO1

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found in taxon

Baccharis

1 reference

stated in

Macrocyclische Trichothecene ausBaccharis coridifolia, I Miotoxin B und C, zwei neue macrocyclische Trichothecene ausBaccharis coridifolia DC

Identifiers

InChI

InChI=1S/C31H42O11/c1-18-10-11-30-16-38-27(35)14-28(4,36)22(33)15-37-21(19(2)40-20(3)32)8-6-7-9-26(34)42-23-13-25(41-24(30)12-18)31(17-39-31)29(23,30)5/h6-9,12,19,21-25,33,36H,10-11,13-17H2,1-5H3/b8-6+,9-7+/t19-,21-,22+,23+,24+,25+,28-,29+,30+,31-/m1/s1

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InChIKey

FVICMOOJTXCWJF-WNYCGDIUSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FVICMOOJTXCWJF-WNYCGDIUSA-N

(Q105002415)

[(1R)-1-[(1S,3S,8S,13R,14S,17R,18E,20E,24S,25R,26R)-13,14-dihydroxy-5,13,25-trimethyl-11,22-dioxospiro[2,10,16,23-tetraoxatetracyclo[22.2.1.03,8.08,25]heptacosa-4,18,20-triene-26,2'-oxirane]-17-yl]ethyl] acetate

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