(Q104972146)

English

(1R,3R,8R,12E,17S,18E,20Z,24S,25S,26S,27R)-27-hydroxy-17-[(1R)-1-hydroxyethyl]-5,13,25-trimethylspiro[2,10,16,23-tetraoxatetracyclo[22.2.1.03,8.08,25]heptacosa-4,12,18,20-tetraene-26,2'-oxirane]-11,22-dione

chemical compound

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subclass of

27-Hydroxy-17-(1-hydroxyethyl)-5,13,25-trimethylspiro[2,10,16,23-tetraoxatetracyclo[22.2.1.03,8.08,25]heptacosa-4,12,18,20-tetraene-26,2'-oxirane]-11,22-dione

1 reference

1 reference

(18'E)-27'-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',12',18',20'-tetraene-11',22'-dione

1 reference

based on heuristic

inferred from SMILES

mass

530.251582796 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

(1R,3R,8R,17R,24S,25S,26S,27R)-27-hydroxy-17-[(1S)-1-hydroxyethyl]-5,13,25-trimethylspiro[2,10,16,23-tetraoxatetracyclo[22.2.1.03,8.08,25]heptacosa-4,12,18,20-tetraene-26,2'-oxirane]-11,22-dione

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(1R,3R,8R,17R,24S,25S,26S,27R)-27-hydroxy-17-[(1R)-1-hydroxyethyl]-5,13,25-trimethylspiro[2,10,16,23-tetraoxatetracyclo[22.2.1.03,8.08,25]heptacosa-4,12,18,20-tetraene-26,2'-oxirane]-11,22-dione

2 references

based on heuristic

inferred from InChIKey

1 reference

(1R,3S,8S,12E,17R,18E,20E,24R,25S,26S,27R)-27-hydroxy-17-[(1S)-1-hydroxyethyl]-5,13,25-trimethylspiro[2,10,16,23-tetraoxatetracyclo[22.2.1.03,8.08,25]heptacosa-4,12,18,20-tetraene-26,2'-oxirane]-11,22-dione

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₉H₃₈O₉

0 references

canonical SMILES

O=C1OCC23CCC(=CC3OC4C(O)C(OC(=O)C=CC=CC(OCCC(=C1)C)C(O)C)C2(C)C54OC5)C

0 references

isomeric SMILES

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

Identifiers

InChI

InChI=1S/C29H38O9/c1-17-9-11-28-15-35-23(32)14-18(2)10-12-34-20(19(3)30)7-5-6-8-22(31)38-25-24(33)26(37-21(28)13-17)29(16-36-29)27(25,28)4/h5-8,13-14,19-21,24-26,30,33H,9-12,15-16H2,1-4H3/b7-5+,8-6-,18-14+/t19-,20+,21-,24-,25-,26-,27-,28-,29+/m1/s1

0 references

InChIKey

CXUYRNDRKDXIHC-HXFOIWMSSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CXUYRNDRKDXIHC-HXFOIWMSSA-N

(Q104972146)

(1R,3R,8R,12E,17S,18E,20Z,24S,25S,26S,27R)-27-hydroxy-17-[(1R)-1-hydroxyethyl]-5,13,25-trimethylspiro[2,10,16,23-tetraoxatetracyclo[22.2.1.03,8.08,25]heptacosa-4,12,18,20-tetraene-26,2'-oxirane]-11,22-dione

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