(3β,5α,6α,7β,22E)-5,6-Epoxyergosta-8,22-diene-3,7,14-triol
CAS Registry Number®
211486-18-9
CAS Name
(3β,5α,6α,7β,22E)-5,6-Epoxyergosta-8,22-diene-3,7,14-triolMolecular Formula
C28H44O4Molecular Mass
444.65Cite this Page
(3β,5α,6α,7β,22E)-5,6-Epoxyergosta-8,22-diene-3,7,14-triol. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=211486-18-9 (retrieved ) (CAS RN: 211486-18-9). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C28H44O4/c1-16(2)17(3)7-8-18(4)20-11-14-27(31)22-21(10-13-25(20,27)5)26(6)12-9-19(29)15-28(26)24(32-28)23(22)30/h7-8,16-20,23-24,29-31H,9-15H2,1-6H3/b8-7+/t17-,18+,19-,20+,23+,24-,25+,26+,27+,28-/m0/s1
InChIKey
InChIKey=PEFVSALFOVYKAA-HXPFJBHASA-N
SMILES
C[C@]12[C@@]3([C@@](O3)([C@H](O)C4=C1CC[C@@]5(C)[C@@]4(O)CC[C@@]5([C@@H](/C=C/[C@@H](C(C)C)C)C)[H])[H])C[C@@H](O)CC2
Canonical SMILES
OC1C2=C(CCC3(C)C(CCC23O)C(C=CC(C)C(C)C)C)C4(C)CCC(O)CC54OC15
Other Names for this Substance
- Ergosta-8,22-diene-3,7,14-triol, 5,6-epoxy-, (3β,5α,6α,7β,22E)-
- (3β,5α,6α,7β,22E)-5,6-Epoxyergosta-8,22-diene-3,7,14-triol