(3β,5α,6α,7α,22E)-5,6-Epoxyergosta-8,14,22-triene-3,7-diol
CAS Registry Number®
276864-98-3
CAS Name
(3β,5α,6α,7α,22E)-5,6-Epoxyergosta-8,14,22-triene-3,7-diolMolecular Formula
C28H42O3Molecular Mass
426.63Cite this Page
(3β,5α,6α,7α,22E)-5,6-Epoxyergosta-8,14,22-triene-3,7-diol. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=276864-98-3 (retrieved ) (CAS RN: 276864-98-3). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C28H42O3/c1-16(2)17(3)7-8-18(4)20-9-10-21-23-22(12-13-26(20,21)5)27(6)14-11-19(29)15-28(27)25(31-28)24(23)30/h7-8,10,16-20,24-25,29-30H,9,11-15H2,1-6H3/b8-7+/t17-,18+,19-,20+,24-,25-,26+,27+,28-/m0/s1
InChIKey
InChIKey=USHMBEFGKMCIBD-AAXQUGDCSA-N
SMILES
C[C@]12[C@@]3([C@@](O3)([C@@H](O)C4=C1CC[C@@]5(C)C4=CC[C@@]5([C@@H](/C=C/[C@@H](C(C)C)C)C)[H])[H])C[C@@H](O)CC2
Canonical SMILES
OC1C=2C3=CCC(C(C=CC(C)C(C)C)C)C3(C)CCC2C4(C)CCC(O)CC54OC15
Other Names for this Substance
- Ergosta-8,14,22-triene-3,7-diol, 5,6-epoxy-, (3β,5α,6α,7α,22E)-
- (3β,5α,6α,7α,22E)-5,6-Epoxyergosta-8,14,22-triene-3,7-diol