| SpectraBase Spectrum ID |
E9AfzmsvZSU |
| Name |
2-Oxabicyclo[2.2.2]octane, 9,10-secoergosta-5,7,22-triene deriv. |
| CAS Registry Number |
116559-90-1 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H44O |
| InChI |
InChI=1S/C28H44O/c1-19(2)20(3)8-9-21(4)26-14-15-27-22(7-6-16-28(26,27)5)10-11-23-17-25-13-12-24(23)18-29-25/h8-11,19-21,24-27H,6-7,12-18H2,1-5H3/b9-8+,22-10+,23-11-/t20-,21+,24-,25-,26+,27-,28+/m0/s1 |
| InChIKey |
VSQBOIFRNOOJSX-OLFOANFNSA-N |
| Molecular Weight |
396.659 g/mol |
| SMILES |
[C@@]12([C@](\C(=C\C=C/3[C@@]4(CO[C@](C3)(CC4)[H])[H])CCC2)(CC[C@@]1([C@@](\C=C\[C@@](C(C)C)(C)[H])(C)[H])[H])[H])C |
| SPLASH |
splash10-0a4j-0901000000-a72a7d34192d4c903b7d |
| Source of Spectrum |
J-53-6099-4 |
| Synonyms |
9,10-Secoergosta-5,7,22-triene, 3,19-epoxy-, (3.alpha.,5Z,7E,10.alpha.,22E)-
(1S,4R,5Z)-5-((2E)-2-{(1R,3aS,7aR)-7a-methyl-1-[(1R,2E,4R)-1,4,5-trimethyl-2-hexenyl]octahydro-4H-inden-4-ylidene}ethylidene)-2-oxabicyclo[2.2.2]octane |
| Wiley ID |
1367800 |
![2-Oxabicyclo[2.2.2]octane, 9,10-secoergosta-5,7,22-triene deriv.](/api/spectrum/E9AfzmsvZSU/structure.png?h=300&w=458 "2-Oxabicyclo[2.2.2]octane, 9,10-secoergosta-5,7,22-triene deriv.")
