| SpectraBase Spectrum ID |
BFyiE4unFFr |
| Name |
(8S,11S,14S,17R)-1,7,10,13,16-Pentaoxo-6,8,12,13,17-pentamethyl-3,4-(benzo)-6,9,12,15,18-pentaazocyclooctadecane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
565.290033990 u |
| Formula |
C30H39N5O6 |
| InChI |
InChI=1S/C30H39N5O6/c1-18-27(37)32-20(3)30(40)35(5)25(15-21-11-13-24(41-6)14-12-21)28(38)33-19(2)29(39)34(4)17-23-10-8-7-9-22(23)16-26(36)31-18/h7-14,18-20,25H,15-17H2,1-6H3,(H,31,36)(H,32,37)(H,33,38)/t18-,19+,20+,25+/m1/s1 |
| InChIKey |
HMTMEWYNCYSOSA-LWIATZKVSA-N |
| Molecular Weight |
565.671 g/mol |
| SMILES |
C1(N([C@](C(N[C@](C(N(CC2=C(CC(N[C@@](C(N[C@]1(C)[H])=O)(C)[H])=O)C=CC=C2)C)=O)(C)[H])=O)(CC1=CC=C(C=C1)OC)[H])C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.933298 |
