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21H-Biline-3-acetic acid, 17-ethyl-1,2,3,19,23,24-hexahydro-2,2,7,8,12,13,18,21-octamethyl-19-oxo-, methyl ester, (.+-.)-

View entire compound with spectra: 1 MS (GC)

21H-Biline-3-acetic acid, 17-ethyl-1,2,3,19,23,24-hexahydro-2,2,7,8,12,13,18,21-octamethyl-19-oxo-, methyl ester, (.+-.)-
SpectraBase Compound ID CmVQ5RZi6xD
InChI InChI=1S/C32H40N4O4/c1-11-21-20(6)30(38)35-27(21)14-25-17(3)16(2)23(33-25)13-24-18(4)19(5)26(34-24)15-28-22(12-29(37)40-10)32(7,8)31(39)36(28)9/h13-15,22,34H,11-12H2,1-10H3,(H,35,38)/b23-13+,27-14-,28-15-
InChIKey QPUCPSYVANLKOP-CZOHQRHZSA-N
Mol Weight 544.7 g/mol
Molecular Formula C32H40N4O4
Exact Mass 544.304956 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 79vghRLFopQ
Name 21H-Biline-3-acetic acid, 17-ethyl-1,2,3,19,23,24-hexahydro-2,2,7,8,12,13,18,21-octamethyl-19-oxo-, methyl ester, (.+-.)-
CAS Registry Number 90702-43-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H40N4O4
InChI InChI=1S/C32H40N4O4/c1-11-21-20(6)30(38)35-27(21)14-25-17(3)16(2)23(33-25)13-24-18(4)19(5)26(34-24)15-28-22(12-29(37)40-10)32(7,8)31(39)36(28)9/h13-15,22,34H,11-12H2,1-10H3,(H,35,38)/b23-13+,27-14-,28-15-
InChIKey QPUCPSYVANLKOP-CZOHQRHZSA-N
Molecular Weight 544.696 g/mol
SMILES [nH]1c(c(c(c1\C=C/1N=C(\C=C/2NC(C(=C2CC)C)=O)C(=C1C)C)C)C)\C=C\1N(C(=O)C(C1CC(=O)OC)(C)C)C
SPLASH splash10-0006-0010090000-7b75242e1d598d931ffb
Source of Spectrum AH-115-107-0
Synonyms rac-(4Z,10E,15Z)-17-Ethyl-1,19-dioxo-3-methoxycarbonylmethyl-2,2,7,8,12,13,18,21-octamethyl-1,2,3,19,22,24-hexahydro-21H-bilin
Wiley ID 1405081