(Q105298647)

English

(1R,2R,5R,6R,9R,10R,13S,15R)-5-[(E,2S,5R)-5,6-dimethylhept-3-en-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.01,9.02,6.010,15]nonadec-18-en-13-ol

chemical compound

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instance of

type of chemical entity

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subclass of

(1S,2R,6R,9R,10R,13S,15S)-5-[(E,2R,5S)-5,6-dimethylhept-3-en-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.01,9.02,6.010,15]nonadec-18-en-13-ol

1 reference

based on heuristic

inferred from SMILES

(5R,6R,10R,13S)-5-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.01,9.02,6.010,15]nonadec-18-en-13-ol

1 reference

based on heuristic

inferred from SMILES

5-(5,6-Dimethylhept-3-en-2-yl)-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.01,9.02,6.010,15]nonadec-18-en-13-ol

1 reference

based on heuristic

inferred from SMILES

(1S,2S,5S,6R,9S,10R,15S)-5-(5,6-dimethylhept-3-en-2-yl)-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.01,9.02,6.010,15]nonadec-18-en-13-ol

1 reference

based on heuristic

inferred from SMILES

5α,8α-epidioxyergosta-6,22-dien-3β-ol

1 reference

based on heuristic

inferred from SMILES

mass

428.329045268 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(22E,24S)-5alpha,8alpha-epidioxy-24-methylcholesta-6,22-dien-3beta-ol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(1R,2R,5R,6R,9R,10R,13S,15R)-5-[(Z,2S,5R)-5,6-dimethylhept-3-en-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.01,9.02,6.010,15]nonadec-18-en-13-ol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(1R,2S,5R,6R,9R,10R,13S,15R)-5-[(E,2S,5R)-5,6-dimethylhept-3-en-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.01,9.02,6.010,15]nonadec-18-en-13-ol

1 reference

based on heuristic

inferred from InChI

ergosterol endoperoxide

1 reference

based on heuristic

inferred from InChI

(1S,2R,5R,6R,9S,10R,13S,15S)-5-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.01,9.02,6.010,15]nonadec-18-en-13-ol

1 reference

based on heuristic

inferred from InChI

(1S,2R,5R,6R,9R,10R,13S,15S)-5-[(E,2S,5R)-5,6-dimethylhept-3-en-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.01,9.02,6.010,15]nonadec-18-en-13-ol

1 reference

based on heuristic

inferred from InChI

5,8-Epidioxy-5beta-ergosta-6,22-diene-3beta-ol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₈H₄₄O₃

0 references

canonical SMILES

OC1CCC2(C)C3CCC4(C)C(CCC4C53OOC2(C=C5)C1)C(C=CC(C)C(C)C)C

0 references

isomeric SMILES

CC(C)[C@@H](C)/C=C/[C@H](C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]23C=C[C@@]2(C[C@@H](O)CC[C@]12C)OO3

0 references

found in taxon

Rhizoctonia repens

1 reference

stated in

Ergosterol peroxide from Rhizoctonia repens: composition, conformation, and origin

Tulasnella deliquescens

1 reference

stated in

Ergosterol peroxide from Rhizoctonia repens: composition, conformation, and origin

Identifiers

InChI

InChI=1S/C28H44O3/c1-18(2)19(3)7-8-20(4)22-9-10-23-25(22,5)13-12-24-26(6)14-11-21(29)17-27(26)15-16-28(23,24)31-30-27/h7-8,15-16,18-24,29H,9-14,17H2,1-6H3/b8-7+/t19-,20-,21-,22+,23+,24+,25+,26+,27-,28+/m0/s1

0 references

InChIKey

VXOZCESVZIRHCJ-FLKORXTLSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105298647)

(1R,2R,5R,6R,9R,10R,13S,15R)-5-[(E,2S,5R)-5,6-dimethylhept-3-en-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.01,9.02,6.010,15]nonadec-18-en-13-ol

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