(Q105139913)

English

Verrucarin A, 2',3'-didehydro-7'-deoxo-2'-deoxy-7'-(1-hydroxyethyl)-, (2'E,7'S(R))-

chemical compound

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instance of

type of chemical entity

0 references

subclass of

(18'E)-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

(1R,3R,8R,12Z,17R,18Z,20Z,24R,25S)-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

1 reference

based on heuristic

inferred from SMILES

(1S,3R,12E,17R,18E,20Z,24R,25S,26R)-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

1 reference

(2S,3'R,8'R,12'E,17'R,18'E,20'Z,24'R,25'S)-17'-[(1R)-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

(12'Z,18'Z,20'Z)-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

(2S,3'R,8'R,12'Z,18'Z,20'Z,24'R)-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

(3R,8R,12E,17S,18E,20E,24R,25S,26S)-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 SMILES

mass

514.256668176 dalton

1 reference

2 references

inferred from InChIKey

2 references

inferred from InChIKey

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

(1R,3R,8R,17R,24R,25S,26S)-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,3R,8R,12E,17S,18E,20Z,24R,25S,26S)-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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₉H₃₈O₈

0 references

canonical SMILES

O=C1OCC23CCC(=CC3OC4CC(OC(=O)C=CC=CC(OCCC(=C1)C)C(O)C)C2(C)C54OC5)C

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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(C)=C\C(=O)OC[C@@]2(CC1)[C@]4(C)[C@]31CO1

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found in taxon

Cylindrocarpon

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stated in

New antibiotics from Cylindrocarpon sp

stated in

New antibiotics from Cylindrocarpon sp

Neonectria

2 references

stated in

New antibiotics from Cylindrocarpon sp

stated in

New antibiotics from Cylindrocarpon sp

Identifiers

InChI

InChI=1S/C29H38O8/c1-18-9-11-28-16-34-26(32)14-19(2)10-12-33-21(20(3)30)7-5-6-8-25(31)37-22-15-24(36-23(28)13-18)29(17-35-29)27(22,28)4/h5-8,13-14,20-24,30H,9-12,15-17H2,1-4H3/b7-5-,8-6-,19-14-/t20-,21-,22+,23+,24+,27+,28+,29-/m0/s1

0 references

InChIKey

KEEQQEKLEZRLDS-CXJPQZSNSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

KEEQQEKLEZRLDS-CXJPQZSNSA-N

1 reference

(Q105139913)

Verrucarin A, 2',3'-didehydro-7'-deoxo-2'-deoxy-7'-(1-hydroxyethyl)-, (2'E,7'S(R))-

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