(Q105148783)

English

(1S,3S,7S,10R,12R,13R,15R,16R,17R,18R,21E,23E,25R,26R,29S)-26-hydroxy-10,17-dimethylspiro[2,5,11,14,19,28,32-heptaoxaoctacyclo[23.4.3.115,18.01,3.07,13.07,17.010,12.025,29]tritriaconta-21,23-diene-16,2'-oxirane]-4,20,27-trione

chemical compound

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instance of

type of chemical entity

0 references

subclass of

26-Hydroxy-10,17-dimethylspiro[2,5,11,14,19,28,32-heptaoxaoctacyclo[23.4.3.115,18.01,3.07,13.07,17.010,12.025,29]tritriaconta-21,23-diene-16,2'-oxirane]-4,20,27-trione

1 reference

1 reference

(1S,3S,7S,10R,12R,13R,15R,16R,17R,18R,21E,23E,26R,29S)-26-hydroxy-10,17-dimethylspiro[2,5,11,14,19,28,32-heptaoxaoctacyclo[23.4.3.115,18.01,3.07,13.07,17.010,12.025,29]tritriaconta-21,23-diene-16,2'-oxirane]-4,20,27-trione

1 reference

based on heuristic

inferred from SMILES

mass

572.189376464 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1R,3R,7R,10R,12S,13S,15R,16R,17S,18R,21Z,23E,25R,26R,29R)-26-hydroxy-10,17-dimethylspiro[2,5,11,14,19,28,32-heptaoxaoctacyclo[23.4.3.115,18.01,3.07,13.07,17.010,12.025,29]tritriaconta-21,23-diene-16,2'-oxirane]-4,20,27-trione

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₉H₃₂O₁₂

0 references

canonical SMILES

O=C1OC2CC3OC4C5OC5(C)CCC4(COC(=O)C6OC76CCOC8(C=CC=C1)C(O)C(=O)OC87)C2(C)C93OC9

0 references

isomeric SMILES

C[C@@]12CC[C@]34COC(=O)[C@H]5O[C@]56CCO[C@@]5(/C=C/C=C/C(=O)O[C@@H]7C[C@@H](O[C@H]3[C@H]1O2)[C@]1(CO1)[C@@]74C)[C@H]6OC(=O)[C@@H]5O

0 references

found in taxon

Paramyrothecium roridum

1 reference

stated in

Roritoxins. New macrocyclic trichothecenes from Myrothecium roridum

Myrothecium roridum

1 reference

stated in

Roritoxins. New macrocyclic trichothecenes from Myrothecium roridum

Identifiers

InChI

InChI=1S/C29H32O12/c1-24-7-8-26-12-34-22(33)20-28(41-20)9-10-35-27(17(31)21(32)39-23(27)28)6-4-3-5-16(30)37-14-11-15(38-19(26)18(24)40-24)29(13-36-29)25(14,26)2/h3-6,14-15,17-20,23,31H,7-13H2,1-2H3/b5-3+,6-4+/t14-,15-,17+,18-,19+,20-,23-,24-,25+,26+,27-,28-,29-/m1/s1

0 references

InChIKey

LANVEQVSXWXQLN-PYPFJVFSSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LANVEQVSXWXQLN-PYPFJVFSSA-N

(Q105148783)

(1S,3S,7S,10R,12R,13R,15R,16R,17R,18R,21E,23E,25R,26R,29S)-26-hydroxy-10,17-dimethylspiro[2,5,11,14,19,28,32-heptaoxaoctacyclo[23.4.3.115,18.01,3.07,13.07,17.010,12.025,29]tritriaconta-21,23-diene-16,2'-oxirane]-4,20,27-trione

Statements

Identifiers

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