| SpectraBase Spectrum ID |
ACToHy3ZubD |
| Name |
Dehydroxyervataminol |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H26N2O2 |
| InChI |
InChI=1S/C21H26N2O2/c1-4-14-12-23(2)13-21(20(24)25-3)11-16-15-7-5-6-8-18(15)22-19(16)10-9-17(14)21/h5-10,14,17,22H,4,11-13H2,1-3H3/t14-,17+,21+/m1/s1 |
| InChIKey |
GNBMEDKSCRELBZ-FNXXIHLHSA-N |
| Instrument Name |
Finnigan MAT 95 |
| Ionization Type |
EI positive ion |
| Literature Reference DOI |
10.1021/np060344o |
| Molecular Weight |
338.451 g/mol |
| Optical Rotation |
[a]D16 = -61.5 (c = 0.28, CHCl3) |
| Reported Formula |
C21H26N2O2 |
| SMILES |
[nH]1c2C=C[C@]3([C@@](CN(C[C@]3(Cc2c2ccccc12)C(=O)OC)C)(CC)[H])[H] |
| SPLASH |
splash10-000b-9866000000-afd7b38bb35e0ffcae2e |
| Source of Spectrum |
G4-70-SM38-6 |
| Wiley ID |
1874316 |
