| SpectraBase Spectrum ID |
IuH547QE5LP |
| Name |
Roemeridine |
| Alternate Name(s) |
(1R,4'S,6'R)-6,6',7,10''-tetramethoxy-5''-methyl-2,3,4,9-tetrahydrodispiro[pyrido[3,4-b]indole-1,1'-cyclohexane-4',2''-[5]azatricyclo[6.3.1.0(4,12)]dodecane]-1''(12''),8'',10''-trien-11''-ol |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C31H39N3O5 |
| InChI |
InChI=1S/C31H39N3O5/c1-34-11-7-17-12-24(38-4)28(35)27-26(17)21(34)15-30(27)8-9-31(25(16-30)39-5)29-18(6-10-32-31)19-13-22(36-2)23(37-3)14-20(19)33-29/h12-14,21,25,32-33,35H,6-11,15-16H2,1-5H3/t21?,25-,30+,31+/m1/s1 |
| InChIKey |
ZEQJFLRBPFWVDX-LGFSPVNFSA-N |
| Molecular Weight |
533.669 g/mol |
| SMILES |
Oc1c(cc2c3c1[C@]1(C[C@]([C@]4(c5[nH]c6cc(c(cc6c5CCN4)OC)OC)CC1)(OC)[H])CC3N(CC2)C)OC |
| SPLASH |
splash10-0006-0090000000-ac2c2e531f887c20f38a |
| Source of Spectrum |
X2-53-684-8 |
| Wiley ID |
1603558 |
