(Q115972206)

English

(1E,6R,11R,13R,14R,15S,16R,19Z,21E,23R,27S)-27-hydroxy-23-[(1S)-1-hydroxyethyl]-9,15-dimethylspiro[4,12,17,24-tetraoxapentacyclo[21.3.1.113,16.06,11.06,15]octacosa-1,9,19,21-tetraene-14,2'-oxirane]-3,18-dione

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

27'-hydroxy-23'-(1-hydroxyethyl)-9',15'-dimethyl-4',12',17',24'-tetraoxaspiro[oxirane-2,14'-pentacyclo[21.3.1.1¹³,¹⁶.0⁶,¹¹.0⁶,¹⁵]octacosane]-1',9',19',21'-tetraene-3',18'-dione

1 reference

based on heuristic

inferred from SMILES

mass

528.235932732 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1Z,6R,11R,13R,14S,15S,16R,19Z,21E,23R,27R)-27-hydroxy-23-[(1S)-1-hydroxyethyl]-9,15-dimethylspiro[4,12,17,24-tetraoxapentacyclo[21.3.1.113,16.06,11.06,15]octacosa-1,9,19,21-tetraene-14,2'-oxirane]-3,18-dione

2 references

based on heuristic

inferred from InChIKey

2 references

inferred from InChIKey

2 references

inferred from InChIKey

1 reference

(1E,6R,11R,13R,14S,15S,16R,19Z,21E,23R,27R)-27-hydroxy-23-[(1S)-1-hydroxyethyl]-9,15-dimethylspiro[4,12,17,24-tetraoxapentacyclo[21.3.1.113,16.06,11.06,15]octacosa-1,9,19,21-tetraene-14,2'-oxirane]-3,18-dione

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₉H₃₆O₉

0 references

canonical SMILES

O=C1OCC23CCC(=CC3OC4CC(OC(=O)C=CC=CC5(OCCC(=C1)C5O)C(O)C)C2(C)C64OC6)C

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isomeric SMILES

CC1=C[C@H]2O[C@@H]3C[C@H]4OC(=O)/C=C\C=C\[C@]5([C@H](C)O)OCC/C(=C\C(=O)OC[C@@]2(CC1)[C@]4(C)[C@@]31CO1)[C@@H]5O

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found in taxon

Trichoderma cornu-damae

1 reference

stated in

Macrocyclic Trichothecene Mycotoxins from a Deadly Poisonous Mushroom, Podostroma cornu-damae

Identifiers

InChI

InChI=1S/C29H36O9/c1-17-7-10-27-15-34-24(32)13-19-8-11-35-28(18(2)30,25(19)33)9-5-4-6-23(31)38-20-14-22(37-21(27)12-17)29(16-36-29)26(20,27)3/h4-6,9,12-13,18,20-22,25,30,33H,7-8,10-11,14-16H2,1-3H3/b6-4-,9-5+,19-13+/t18-,20+,21+,22+,25-,26+,27+,28+,29+/m0/s1

0 references

InChIKey

MUACSCLQRGEGOE-DMIOSSLZSA-N

0 references

1 reference

3 January 2023

inferred from InChIKey

1 reference

(Q115972206)

(1E,6R,11R,13R,14R,15S,16R,19Z,21E,23R,27S)-27-hydroxy-23-[(1S)-1-hydroxyethyl]-9,15-dimethylspiro[4,12,17,24-tetraoxapentacyclo[21.3.1.113,16.06,11.06,15]octacosa-1,9,19,21-tetraene-14,2'-oxirane]-3,18-dione

Statements

Identifiers

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