(Q105185016)

English

(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

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

(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

(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

mass

532.26723286 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(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

2 references

based on heuristic

inferred from InChIKey

2 references

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

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

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

1 reference

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=CC=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

1 reference

stated in

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

Myrothecium verrucaria

1 reference

stated in

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

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/t18-,19+,20-,21-,22-,23-,25+,27-,28-,29+/m1/s1

0 references

InChIKey

NSFWWJIQIKBZMJ-ONGKPAJLSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105185016)

(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

Statements

Identifiers

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