Trichoverrol B
Basic information
- CAS
76685-83-1- Standard SMILES
CC1=C[C@H]2O[C@@H]3C[C@@H](OC(=O)/C=C\C=C\[C@H](O)[C@@H](C)O)[C@](C)([C@@]2(CO)CC1)[C@]31CO1- InChIKey
QFKRKMXPKBHGGO-ACGMSUMJSA-N- Molecular formula
- C23H32O7
- Average molar mass
- 420.5 g/mol
- Monoisotopic mass
- 420.21480336
Overview
trichoverrol b has been reported in Albifimbria verrucaria, Baccharis megapotamica, and Stachybotrys chartarum with data available.
Names & identifiers
- Preferred name
- Trichoverrol B
- IUPAC
- [(1S,2R,7R,9R,11R,12S)-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-yl] (2Z,4E,6S,7R)-6,7-dihydroxyocta-2,4-dienoate
Names & synonyms
Trichoverrol B76685-83-1W4NA17W416UNII-W4NA17W416[(1S,2R,7R,9R,11R,12S)-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-yl] (2Z,4E,6S,7R)-6,7-dihydroxyocta-2,4-dienoateTrichothec-9-ene-4,15-diol, 12,13-epoxy-, 4-((2Z,4E,6S,7R)-6,7-dihydroxy-2,4-octadienoate), (4beta)-TRICHOTHEC-9-ENE-4,15-DIOL, 12,13-EPOXY-, 4-((2Z,4E,6S,7R)-6,7-DIHYDROXY-2,4-OCTADIENOATE), (4.BETA.)-TRICHOTHEC-9-ENE-4,15-DIOL, 12,13-EPOXY-, 4-(6,7-DIHYDROXY-2,4-OCTADIENOATE), (4.BETA.(2Z,4E,6S,7R))-((1S,2R,7R,9R,11R,12S)-2-(hydroxymethyl)-1,5-dimethylspiro(8-oxatricyclo(7.2.1.02,7)dodec-5-ene-12,2'-oxirane)-11-yl) (2Z,4E,6S,7R)-6,7-dihydroxyocta-2,4-dienoateRefChem:191322((1S,2R,7R,9R,11R)-2-(hydroxymethyl)-1,5-dimethylspiro(8-oxatricyclo(7.2.1.02,7)dodec-5-ene-12,2'-oxirane)-11-yl) (2Z,4E,6S,7R)-6,7-dihydroxyocta-2,4-dienoate[(1S,2R,7R,9R,11R)-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-yl] (2Z,4E,6S,7R)-6,7-dihydroxyocta-2,4-dienoate
Show more names
TRICHOTHEC-9-ENE-4,15-DIOL, 12,13-EPOXY-, 4-(6,7-DIHYDROXY-2,4-OCTADIENOATE), (4BETA(2Z,4E,6S,7R))-Q27896816
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 788
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…