| SpectraBase Spectrum ID |
8RYKXEXLE2I |
| Name |
7-[(1'-Hydroxy-1'-t-butyl)ethyl]-4,5-epoxy-18,19-dihydro-3,6-dimethoxy-17-methyl-6,14-ethenomorphinane |
| Alternate Name(s) |
2-[(2S,6R)-11,15-dimethoxy-5-methyl-13-oxa-5-azahexacyclo[13.2.2.1(2,8).0(1,6).0(2,14).0(12,20)]icosa-8(20),9,11-trien-16-yl]-3,3-dimethyl-2-butanol |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H39NO4 |
| InChI |
InChI=1S/C27H39NO4/c1-23(2,3)24(4,29)18-15-25-10-11-27(18,31-7)22-26(25)12-13-28(5)19(25)14-16-8-9-17(30-6)21(32-22)20(16)26/h8-9,18-19,22,29H,10-15H2,1-7H3/t18?,19-,22?,24?,25?,26+,27?/m1/s1 |
| InChIKey |
KNDFXYGKWIQXNP-RSMVOYNZSA-N |
| Molecular Weight |
441.612 g/mol |
| SMILES |
OC(C1C2(C3[C@@]45C([C@](N(CC5)C)(Cc5c4c(c(OC)cc5)O3)[H])(C1)CC2)OC)(C(C)(C)C)C |
| SPLASH |
splash10-0udi-0009000000-6ec9784ff03d9bb01bef |
| Source of Spectrum |
AH-125-1234-3 |
| Wiley ID |
1385117 |
![7-[(1'-Hydroxy-1'-t-butyl)ethyl]-4,5-epoxy-18,19-dihydro-3,6-dimethoxy-17-methyl-6,14-ethenomorphinane](/api/spectrum/8RYKXEXLE2I/structure.png?h=300&w=458 "7-[(1'-Hydroxy-1'-t-butyl)ethyl]-4,5-epoxy-18,19-dihydro-3,6-dimethoxy-17-methyl-6,14-ethenomorphinane")
