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6H,16H,31H-5,9:15,19-Dimethano-10,14-metheno-26,30-nitrilo-5H,25H-dibenzo[b,s][1,21,4,8,14,18]dioxatetraazacyclooctacosine-34,36-dione, 7,8,17,18-tetrahydro-1,23-bis(hydroxymethyl)-35-methoxy-3,21-dimethyl-
SpectraBase Compound ID FJKTm7dxwon
InChI InChI=1S/C38H41N5O7/c1-24-16-26(20-44)34-32(18-24)42-14-6-12-40(37(42)46)30-10-5-11-31(36(30)48-3)41-13-7-15-43(38(41)47)33-19-25(2)17-27(21-45)35(33)50-23-29-9-4-8-28(39-29)22-49-34/h4-5,8-11,16-19,22,39,44-45H,6-7,12-15,20-21,23H2,1-3H3/b28-22+
InChIKey OXEOUHUUEZFTGY-XAYXJRQQSA-N
Mol Weight 679.8 g/mol
Molecular Formula C38H41N5O7
Exact Mass 679.300599 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D9UunAhBRjQ
Name 6H,16H,31H-5,9:15,19-Dimethano-10,14-metheno-26,30-nitrilo-5H,25H-dibenzo[b,s][1,21,4,8,14,18]dioxatetraazacyclooctacosine-34,36-dione, 7,8,17,18-tetrahydro-1,23-bis(hydroxymethyl)-35-methoxy-3,21-dimethyl-
CAS Registry Number 91084-76-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C38H41N5O7
InChI InChI=1S/C38H41N5O7/c1-24-16-26(20-44)34-32(18-24)42-14-6-12-40(37(42)46)30-10-5-11-31(36(30)48-3)41-13-7-15-43(38(41)47)33-19-25(2)17-27(21-45)35(33)50-23-29-9-4-8-28(39-29)22-49-34/h4-5,8-11,16-19,22,39,44-45H,6-7,12-15,20-21,23H2,1-3H3/b28-22+
InChIKey OXEOUHUUEZFTGY-XAYXJRQQSA-N
Molecular Weight 679.774 g/mol
SMILES N1\C2=C\Oc3c(N4C(N(c5c(c(N6C(N(c7c(c(CO)cc(c7)C)OCC1=CC=C2)CCC6)=O)ccc5)OC)CCC4)=O)cc(cc3CO)C
SPLASH splash10-0a4i-0900044000-888872f62a12f84aa9bf
Source of Spectrum C-106-4985-0
Synonyms 16,28-bis(hydroxymethyl)-40-methoxy-14,30-dimethyl-18,26-dioxa-1,7,11,33,38-pentaazaheptacyclo[31.3.1.1(2,6).1(7,11).1(20,24).0(12,17).0(27,32)]tetraconta-2(40),3,5,12,14,16,19,21,23,27,29,31-dodecaene-37,39-dione 7,8,17,18-Tetrahydro-1,23-bis(hydroxymethyl)-35-methoxy-3,21-dimethyl-16H,31H-5,9:15,19-dimetheno-10,14-metheno-26,30-nitrilo-6H,25H-dibenzo[b,s][1,21,4,8,14,18]dioxatetraazacyclooctacosine-34,36-dione
Wiley ID 1414302