| SpectraBase Spectrum ID |
6CPqaJAbvM3 |
| Name |
16,28-Secosolanid-22(28)-en-16-ol, 3-[[(2-hydroxyphenyl)methylene]amino]-, (3.beta.,5.alpha.,16.alpha.)- |
| CAS Registry Number |
71609-95-5 |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C34H50N2O2 |
| InChI |
InChI=1S/C34H50N2O2/c1-21-9-12-29(36-19-21)22(2)32-31(38)18-28-26-11-10-24-17-25(35-20-23-7-5-6-8-30(23)37)13-15-33(24,3)27(26)14-16-34(28,32)4/h5-8,20-22,24-28,31-32,37-38H,9-19H2,1-4H3/b35-20+/t21-,22+,24-,25-,26+,27-,28-,31+,32-,33-,34-/m0/s1 |
| InChIKey |
IHPLQRCQRXQHOE-MQXHDZOZSA-N |
| Molecular Weight |
518.786 g/mol |
| SMILES |
Oc1c(\C=N\[C@]2(CC[C@]3([C@@](CC[C@]4([C@]5([C@@]([C@]([C@@](C5)(O)[H])([C@@](C5=NC[C@](CC5)(C)[H])(C)[H])[H])(CC[C@]34[H])C)[H])[H])(C2)[H])C)[H])cccc1 |
| SPLASH |
splash10-004r-2900120000-0521805a09f2f7965a8b |
| Source of Spectrum |
B-32-608-0 |
| Synonyms |
(25S)-3.beta.-(2'-hydroxybenzylideneamino)-22,26-epimino-5.alpha.-cholest-22(n)-en-16.alpha.-ol
2-[(E)-({(3beta,5alpha,16alpha,20S)-16-hydroxy-20-[(5S)-5-methyl-3,4,5,6-tetrahydro-2-pyridinyl]pregnan-3-yl}imino)methyl]phenol |
| Wiley ID |
1401788 |
![16,28-Secosolanid-22(28)-en-16-ol, 3-[[(2-hydroxyphenyl)methylene]amino]-, (3.beta.,5.alpha.,16.alpha.)-](/api/spectrum/6CPqaJAbvM3/structure.png?h=300&w=458 "16,28-Secosolanid-22(28)-en-16-ol, 3-[[(2-hydroxyphenyl)methylene]amino]-, (3.beta.,5.alpha.,16.alpha.)-")
