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21H-Biline-3-acetic acid, 17-ethyl-1,2,3,19,23,24-hexahydro-3,7,8,12,13,18-hexamethyl-1,19-diox o-, methyl ester0702-44-6 , (.+-.)-
SpectraBase Compound ID 9AuXQFaaY70
InChI InChI=1S/C30H36N4O4/c1-9-20-19(6)29(37)33-25(20)11-23-16(3)15(2)21(31-23)10-22-17(4)18(5)24(32-22)12-26-30(7,13-27(35)34-26)14-28(36)38-8/h10-12,31H,9,13-14H2,1-8H3,(H,33,37)(H,34,35)/b22-10-,25-11+,26-12+
InChIKey FANVQGGNZSZHIZ-DEXROTTQSA-N
Mol Weight 516.6 g/mol
Molecular Formula C30H36N4O4
Exact Mass 516.273656 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C5KvvNBjOsP
Name 21H-Biline-3-acetic acid, 17-ethyl-1,2,3,19,23,24-hexahydro-3,7,8,12,13,18-hexamethyl-1,19-diox o-, methyl ester0702-44-6 , (.+-.)-
Alternate Name(s) Methyl ((2E)-2-{[(2Z)-2-({5-[(E)-(3-ethyl-4-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-3,4-dimethyl-1H-pyrrol-2-yl}methylene)-3,4-dimethyl-2H-pyrrol-5-yl]methylene}-3-methyl-5-oxopyrrolidinyl)acetate rac-(4Z,9Z,15Z)-17-ethyl-1,19-dioxo-3-methoxycarbonylmethyl-3,7,8,12,13,18-hexamethyl-1,2,3,19,23,24-hexahydro-21H-bilin
CAS Registry Number 90702-44-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H36N4O4
InChI InChI=1S/C30H36N4O4/c1-9-20-19(6)29(37)33-25(20)11-23-16(3)15(2)21(31-23)10-22-17(4)18(5)24(32-22)12-26-30(7,13-27(35)34-26)14-28(36)38-8/h10-12,31H,9,13-14H2,1-8H3,(H,33,37)(H,34,35)/b22-10-,25-11+,26-12+
InChIKey FANVQGGNZSZHIZ-DEXROTTQSA-N
Molecular Weight 516.642 g/mol
SMILES N1C(CC(\C1=C\C1=N\C(=C/c2c(c(c(\C=C\3NC(C(=C3CC)C)=O)[nH]2)C)C)C(=C1C)C)(CC(=O)OC)C)=O
SPLASH splash10-0a59-9010020000-700e01ba56a12c9aa201
Source of Spectrum AH-115-109-0
Wiley ID 1401448