For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
9,12:25,28-Dietheno-5H,21H-dipyrrolo[1,2-e:1',2'-s][1,15,5,8,19,22]di oxatetraazacyclooctacosine-5,16,21,32(13H,29H)-tetrone, 1,2,3,6,7,14,15,16a,17,18,19,22,23,30,31,32a-hexadecahydro-15,31-dimethyl-, [16aS-(16aR*,32aR*)]-
SpectraBase Compound ID G9wIKPx3aOi
InChI InChI=1S/C34H44N4O6/c1-35-21-15-25-7-11-27(12-8-25)44-24-18-32(40)38-20-4-6-30(38)34(42)36(2)22-16-26-9-13-28(14-10-26)43-23-17-31(39)37-19-3-5-29(37)33(35)41/h7-14,29-30H,3-6,15-24H2,1-2H3
InChIKey RYAOUKQROVCKGS-UHFFFAOYSA-N
Mol Weight 604.7 g/mol
Molecular Formula C34H44N4O6
Exact Mass 604.326085 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID EhtSdNT1doH
Name 9,12:25,28-Dietheno-5H,21H-dipyrrolo[1,2-e:1',2'-s][1,15,5,8,19,22]di oxatetraazacyclooctacosine-5,16,21,32(13H,29H)-tetrone, 1,2,3,6,7,14,15,16a,17,18,19,22,23,30,31,32a-hexadecahydro-15,31-dimethyl-, [16aS-(16aR*,32aR*)]-
Alternate Name(s) 12,29-dimethyl-2,19-dioxa-6,12,23,29-tetraazapentacyclo[30.2.2.2(15,18).0(6,10).0(23,27)]octatriaconta-1(34),15,17,32,35,37-hexaene-5,11,22,28-tetrone Cyclo-(3-(4-.beta.-N-methylaminoethyl)phenyloxypropanoyl-L-prolyl)
CAS Registry Number 68914-49-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H44N4O6
InChI InChI=1S/C34H44N4O6/c1-35-21-15-25-7-11-27(12-8-25)44-24-18-32(40)38-20-4-6-30(38)34(42)36(2)22-16-26-9-13-28(14-10-26)43-23-17-31(39)37-19-3-5-29(37)33(35)41/h7-14,29-30H,3-6,15-24H2,1-2H3
InChIKey RYAOUKQROVCKGS-UHFFFAOYSA-N
Molecular Weight 604.748 g/mol
SMILES C12N(C(CCOc3ccc(CCN(C(C4N(C(CCOc5ccc(CCN(C2=O)C)cc5)=O)CCC4)=O)C)cc3)=O)CCC1
SPLASH splash10-00di-9001000000-f8385970a371548e72ff
Source of Spectrum C-100-8208-0
Wiley ID 1410474