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21H-Bilin-1(2H)-one, 17-ethyl-3,23-dihydro-19-methoxy-3,3,7,8,12,13,18-heptamethyl-
SpectraBase Compound ID JrCt8YaxwPO
InChI InChI=1S/C29H36N4O2/c1-10-20-19(6)28(35-9)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(34)33-26/h11-13,30H,10,14H2,1-9H3,(H,33,34)/b22-11-,25-12-,26-13+
InChIKey HYXFBIHYWDEUKD-NXRDZHFVSA-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 38SarFfhV4
Name 21H-Bilin-1(2H)-one, 17-ethyl-3,23-dihydro-19-methoxy-3,3,7,8,12,13,18-heptamethyl-
Alternate Name(s) (4Z,9Z,15Z)-17-ethyl-1-oxo-19-methoxy-3,3,7,8,12,13,18-heptamethyl-1,2,3,23-tetrahydro-1H-bilin (5E)-5-{[(2Z)-2-({5-[(Z)-(3-ethyl-5-methoxy-4-methyl-2H-pyrrol-2-ylidene)methyl]-3,4-dimethyl-1H-pyrrol-2-yl}methylene)-3,4-dimethyl-2H-pyrrol-5-yl]methylene}-4,4-dimethyl-2-pyrrolidinone
CAS Registry Number 95836-42-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H36N4O2
InChI InChI=1S/C29H36N4O2/c1-10-20-19(6)28(35-9)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(34)33-26/h11-13,30H,10,14H2,1-9H3,(H,33,34)/b22-11-,25-12-,26-13+
InChIKey HYXFBIHYWDEUKD-NXRDZHFVSA-N
Molecular Weight 472.633 g/mol
SMILES [nH]1c(c(c(c1\C=C\1N=C(\C=C\2NC(CC2(C)C)=O)C(=C1C)C)C)C)\C=C\1N=C(OC)C(=C1CC)C
SPLASH splash10-05fr-0000900000-6419bacfb6c4a96c082e
Source of Spectrum AH-115-1449-0
Wiley ID 1393448