SpectraBase Spectrum ID |
1PU5eqDjn8 |
Name |
2,6-Methano-1H-azecino[5,4-b]indole, vobasan-17-oic acid deriv. |
CAS Registry Number |
52389-31-8 |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C21H26N2O3 |
InChI |
InChI=1S/C21H26N2O3/c1-4-12-11-23(2)17-9-15-13-7-5-6-8-16(13)22-20(15)18(24)10-14(12)19(17)21(25)26-3/h5-8,12,14,17,19,22H,4,9-11H2,1-3H3/t12-,14+,17+,19+/m0/s1 |
InChIKey |
FFVRRQMGGGTQRH-NDQWIJPBSA-N |
Molecular Weight |
354.450 g/mol |
SMILES |
[nH]1c2c(c3c1C(C[C@]1([C@]([C@@](C3)(N(C[C@@]1(CC)[H])C)[H])(C(=O)OC)[H])[H])=O)cccc2 |
SPLASH |
splash10-001i-0902000000-59e1e6c9ab630fcffa59 |
Source of Spectrum |
B-28-1851-0 |
Wiley ID |
1344718 |