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(+)-N-(5-BENZYL-3,6-DIOXO-10b-HYDROXY-2-ISOPROPYLOCTAHYDRO-8H-OXAZOLO[3,2-a]PYRROLO[2,1-c]PYRAZIN-2-YL)-4,6,6a,7,8,9-HEXAHYDRO-7-METHYLINDOLO[4,3-fg]QUINOLINE-9-CARBOXAMIDE
SpectraBase Compound ID JwKc2mT4onZ
InChI InChI=1S/C35H39N5O5/c1-20(2)34(37-31(41)23-16-25-24-11-7-12-26-30(24)22(18-36-26)17-27(25)38(3)19-23)33(43)40-28(15-21-9-5-4-6-10-21)32(42)39-14-8-13-29(39)35(40,44)45-34/h4-7,9-12,16,18,20,23,27-29,36,44H,8,13-15,17,19H2,1-3H3,(H,37,41)/t23-,27-,28-,29-,34+,35-/m0/s1
InChIKey HEFIYUQVAZFDEE-DTTNJXRPSA-N
Mol Weight 609.7 g/mol
Molecular Formula C35H39N5O5
Exact Mass 609.295119 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 9XdesuwN0lq
Name (+)-N-(5-BENZYL-3,6-DIOXO-10b-HYDROXY-2-ISOPROPYLOCTAHYDRO-8H-OXAZOLO[3,2-a]PYRROLO[2,1-c]PYRAZIN-2-YL)-4,6,6a,7,8,9-HEXAHYDRO-7-METHYLINDOLO[4,3-fg]QUINOLINE-9-CARBOXAMIDE
Source of Sample Fluka Chemie AG, Buchs, Switzerland
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H39N5O5
InChI InChI=1S/C35H39N5O5/c1-20(2)34(37-31(41)23-16-25-24-11-7-12-26-30(24)22(18-36-26)17-27(25)38(3)19-23)33(43)40-28(15-21-9-5-4-6-10-21)32(42)39-14-8-13-29(39)35(40,44)45-34/h4-7,9-12,16,18,20,23,27-29,36,44H,8,13-15,17,19H2,1-3H3,(H,37,41)/t23-,27-,28-,29-,34+,35-/m0/s1
InChIKey HEFIYUQVAZFDEE-DTTNJXRPSA-N
Melting Point 229C
Molecular Weight 609.726990
Optical Properties Optical Rotation= D (20C) +366 DEG
Synonyms ERGOCRISTININE, /PLUS/-, INDOLO/4,3-FG/QUINOLINE-9-CARBOXAM- IDE, N-/5-BENZYL-3,6-DIOXO-10B-HYDROXY- 2-ISOPROPYLOCTAHYDRO-8H-OXAZOLO/3,2-A/- PYRROLO/2,1-C/PYRAZIN-2-YL/-4,6,6A,7,- 8,9-HEXAHYDRO-7-METHYL-, /PLUS/-,
Technique KBr WAFER