ergosterol

[(Science: chemical) chemical name: Ergosta-5,7,22-trien-3-ol, (3beta,22E)-

[1. The most important of the D2 provitamins; ultraviolet irradiation converts ergosterol to lumisterol, tachysterol, and ergocalciferol; main sterol in yeast, ergot, and molds.

Molecular Formula: C₂₈H₄₄O

InChI: InChI=1/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: InChIKey=DNVPQKQSNYMLRS-APGDWVJJBI
SMILES: [H][C@@]1(CC[C@@]2([H])C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)\C=C\[C@H](C)C(C)C

CAS number 57-87-4

Names:
    Ergosterol
    ergosterol
    Ergosterol
    ERGOSTEROL
    ergosterol
    Provitamin D2
    (22E,24S)-24-methylcholesta-5,7,22-trien-3β-ol
    (3S,9R,10R,13R,14R,17R)-17-[(E,2S,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

Registries:
    PubChem CID 444679
    Beilstein =2338604
    CAS 57-87-4 (from NIST)
    ChEBI 16933
    chemPDB ERG
    Kegg C01694
    PubChem ID 10299560
    PubChem ID 4835