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21H-Bilin-1(17H)-one, 3-ethyl-18,23-dihydro-19-methoxy-2,7,8,12,13,17,17-heptamethyl-
SpectraBase Compound ID AYJK514JXDR
InChI InChI=1S/C29H36N4O2/c1-10-20-19(6)28(34)32-25(20)12-23-16(3)15(2)21(30-23)11-22-17(4)18(5)24(31-22)13-26-29(7,8)14-27(33-26)35-9/h11-13,31H,10,14H2,1-9H3,(H,32,34)/b21-11-,25-12-,26-13-
InChIKey XFQCVGHAOAPVHL-RVMRRMHASA-N
Mol Weight 472.6 g/mol
Molecular Formula C29H36N4O2
Exact Mass 472.283826 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DcqFL7ynvu2
Name 21H-Bilin-1(17H)-one, 3-ethyl-18,23-dihydro-19-methoxy-2,7,8,12,13,17,17-heptamethyl-
CAS Registry Number 95836-44-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H36N4O2
InChI InChI=1S/C29H36N4O2/c1-10-20-19(6)28(34)32-25(20)12-23-16(3)15(2)21(30-23)11-22-17(4)18(5)24(31-22)13-26-29(7,8)14-27(33-26)35-9/h11-13,31H,10,14H2,1-9H3,(H,32,34)/b21-11-,25-12-,26-13-
InChIKey XFQCVGHAOAPVHL-RVMRRMHASA-N
Molecular Weight 472.633 g/mol
SMILES N1C(C(=C(\C1=C/C1=N\C(=C/c2c(c(c([nH]2)\C=C\2N=C(OC)CC2(C)C)C)C)C(=C1C)C)CC)C)=O
SPLASH splash10-0a4i-9200300000-be20e4f7ed22f267cb24
Source of Spectrum AH-115-1450-0
Synonyms (4Z,10Z,15Z)-17-ethyl-19-oxo-1-methoxy-3,3,7,8,12,13,18-heptamethyl-2,3,19,22,24-pentahydro-bilin (5Z)-4-ethyl-5-{[(2Z)-2-({5-[(Z)-(5-methoxy-3,3-dimethyl-3,4-dihydro-2H-pyrrol-2-ylidene)methyl]-3,4-dimethyl-1H-pyrrol-2-yl}methylene)-3,4-dimethyl-2H-pyrrol-5-yl]methylene}-3-methyl-1,5-dihydro-2H-pyrrol-2-one
Wiley ID 1393449