Logo Anses
Logo Interreg

Pyrocalciferol

  • Formula: C28H44O

  • Molecular weight: 396.60

  • Smiles: CC(C)C(C)C=CC(C)C1CCC2C1(CCC3C2=CC=C4C3(CCC(C4)O)C)C

Download

Pyrocalciferol

Names
Structural Information
Physico-chemical Properties
ADME
Toxicity
Medical Chemistry
Fungi

Names

  • Mycotoxin name: Pyrocalciferol

  • First synonym: Pyrocalciferol

  • Synonyms: Pyrocalciferol,Pyrovitamine D2,UNII-4QE155MND5,128-27-8,4QE155MND5,Pyroergocalciferol,Pyrovitamin D2,9alpha-Lumisterol,(3S,9S,10S,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol,10alpha-Ergosterol,Pyrocalciferol [MI],SCHEMBL5004438,Ergosta-5,7,22-trien-3-ol, (3beta,10alpha,22E)-,DTXSID00878680,Q27260364

Identifiers / External links

Structure

  • Smiles: CC(C)C(C)C=CC(C)C1CCC2C1(CCC3C2=CC=C4C3(CCC(C4)O)C)C

  • Isomeric smiles: C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@]3(CC[C@@H](C4)O)C)C

  • Inchi: InChI=1S/C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,18-20,22,24-26,29H,11-17H2,1-6H3/b8-7+/t19-,20+,22-,24+,25-,26-,27+,28+/m0/s1

  • Inchikey: DNVPQKQSNYMLRS-OJBTWCRJSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C28H44O

  • Molecular weight: 396.60

  • Monoisotopic mass: 396.339216023

Select an endpoint:

Endpoint Tool QSAR ID Value Unit Comments Reference

Select an endpoint:

Category Endpoint Tool QSAR ID Value Unit Comments Reference

Select an endpoint:

Category Sub category Endpoint Tool QSAR ID Value Unit Comments Reference

Select an endpoint:

Endpoint Tool Value Unit Comments Reference

Fungi