(Q105185010)

English

CID 22524147

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

(18'E)-12'-hydroxy-17'-(1-hydroxyethyl)-5',13',25'-trimethyl-2',10',16',23'-tetraoxaspiro[oxirane-2,26'-tetracyclo[22.2.1.0³,⁸.0⁸,²⁵]heptacosane]-4',18',20'-triene-11',22'-dione

1 reference

based on heuristic

inferred from SMILES

(1R,3R,8R,12S,13R,17R,18Z,20Z,24R,25S)-12-hydroxy-17-[(1R)-1-hydroxyethyl]-5,13,25-trimethylspiro[2,10,16,23-tetraoxatetracyclo[22.2.1.03,8.08,25]heptacosa-4,18,20-triene-26,2'-oxirane]-11,22-dione

1 reference

based on heuristic

inferred from SMILES

(12S,13R,17R,18Z,20E,24S,25S,26R)-12-hydroxy-17-[(1S)-1-hydroxyethyl]-5,13,25-trimethylspiro[2,10,16,23-tetraoxatetracyclo[22.2.1.03,8.08,25]heptacosa-4,18,20-triene-26,2'-oxirane]-11,22-dione

1 reference

based on heuristic

inferred from SMILES

mass

532.26723286 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1R,3R,8R,12S,13R,17R,24R,25S,26S)-12-hydroxy-17-[(1S)-1-hydroxyethyl]-5,13,25-trimethylspiro[2,10,16,23-tetraoxatetracyclo[22.2.1.03,8.08,25]heptacosa-4,18,20-triene-26,2'-oxirane]-11,22-dione

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(1R,3R,8R,12S,13R,17R,24R,25S,26S)-12-hydroxy-17-[(1R)-1-hydroxyethyl]-5,13,25-trimethylspiro[2,10,16,23-tetraoxatetracyclo[22.2.1.03,8.08,25]heptacosa-4,18,20-triene-26,2'-oxirane]-11,22-dione

2 references

based on heuristic

inferred from InChIKey

2 references

inferred from InChIKey

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

(1R,3R,8R,12S,13R,17S,18E,20Z,24R,25S,26S)-12-hydroxy-17-[(1R)-1-hydroxyethyl]-5,13,25-trimethylspiro[2,10,16,23-tetraoxatetracyclo[22.2.1.03,8.08,25]heptacosa-4,18,20-triene-26,2'-oxirane]-11,22-dione

1 reference

1 reference

(1R,3R,8R,12S,13R,17S,18E,20Z,24R,25S,26R)-12-hydroxy-17-[(1S)-1-hydroxyethyl]-5,13,25-trimethylspiro[2,10,16,23-tetraoxatetracyclo[22.2.1.03,8.08,25]heptacosa-4,18,20-triene-26,2'-oxirane]-11,22-dione

1 reference

based on heuristic

inferred from InChI

(1R,3R,8R,12R,13S,17R,18E,20Z,24R,25S,26S)-12-hydroxy-17-[(1S)-1-hydroxyethyl]-5,13,25-trimethylspiro[2,10,16,23-tetraoxatetracyclo[22.2.1.03,8.08,25]heptacosa-4,18,20-triene-26,2'-oxirane]-11,22-dione

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₉H₄₀O₉

0 references

canonical SMILES

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

0 references

isomeric SMILES

CC1=C[C@H]2O[C@@H]3C[C@H]4OC(=O)/C=C\C=C/[C@H]([C@@H](C)O)OCC[C@@H](C)[C@H](O)C(=O)OC[C@@]2(CC1)[C@]4(C)[C@@]31CO1

0 references

found in taxon

Albifimbria verrucaria

7 references

stated in

Antimalarial activity of macrocyclic trichothecenes isolated from the fungus Myrothecium verrucaria

stated in

Antimalarial activity of macrocyclic trichothecenes isolated from the fungus Myrothecium verrucaria

stated in

Myrocin C, a new diterpene antitumor antibiotic from Myrothecium verrucaria. I. Taxonomy of the producing strain, fermentation, isolation and biological properties.

stated in

New trichoverroids from Myrothecium verrucaria: verrol and 12,13-deoxytrichodermadiene

stated in

Stereochemistry of the Roridins

stated in

Antimalarial activity of macrocyclic trichothecenes isolated from the fungus Myrothecium verrucaria

stated in

Structures and cytotoxic properties of trichoverroids and their macrolide analogues produced by saltwater culture of Myrothecium verrucaria

Baccharis artemisioides

1 reference

stated in

Macrocyclic trichothecenes in Baccharis coridifolia plants and endophytes and Baccharis artemisioides plants

Baccharis coridifolia

5 references

stated in

Accumulation of mycotoxins by Baccharis coridifolia: a reason for livestock poisoning

stated in

Macrocyclic trichothecenes: cause of livestock poisoning by the Brazilian plant Baccharis coridifolia

stated in

Macrocyclic trichothecenes in Baccharis coridifolia plants and endophytes and Baccharis artemisioides plants

stated in

The mystery of trichothecene antibiotics in Baccharis species

stated in

Trichothecene mycotoxins from Brazilian Baccharis species

Ceratopycnidium baccharidicola

1 reference

stated in

Macrocyclic trichothecenes in Baccharis coridifolia plants and endophytes and Baccharis artemisioides plants

Myrothecium verrucaria

3 references

stated in

Stereochemistry of the Roridins

stated in

New trichoverroids from Myrothecium verrucaria: verrol and 12,13-deoxytrichodermadiene

stated in

Myrocin C, a new diterpene antitumor antibiotic from Myrothecium verrucaria. I. Taxonomy of the producing strain, fermentation, isolation and biological properties.

Myrothecium

2 references

stated in

Fungal trichothecenes which promote callus initiation from the alfalfa cotyledon.

stated in

Structure of Myrocin C, a New Diterpene Antibiotic Produced by a Strain of Myrothecium sp.

Identifiers

InChI

InChI=1S/C29H40O9/c1-17-9-11-28-15-35-26(33)25(32)18(2)10-12-34-20(19(3)30)7-5-6-8-24(31)38-21-14-23(37-22(28)13-17)29(16-36-29)27(21,28)4/h5-8,13,18-23,25,30,32H,9-12,14-16H2,1-4H3/b7-5-,8-6-/t18-,19-,20-,21-,22-,23-,25+,27-,28-,29-/m1/s1

0 references

InChIKey

NSFWWJIQIKBZMJ-GRQSARHWSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105185010)

CID 22524147

Statements

Identifiers

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