21H-Biline-8-propanoic acid, 3-ethyl-1,17,18,19,22,24-hexahydro-2,7,12,13,17,17-hexamethyl-1,19-dioxo-, hexadecyl ester

SpectraBase Compound ID	CLz0ddXvE9T
InChI	InChI=1S/C46H68N4O4/c1-9-11-12-13-14-15-16-17-18-19-20-21-22-23-26-54-44(52)25-24-36-33(5)38(28-40-35(10-2)34(6)45(53)49-40)48-41(36)27-37-31(3)32(4)39(47-37)29-42-46(7,8)30-43(51)50-42/h27-29,48H,9-26,30H2,1-8H3,(H,49,53)(H,50,51)/b37-27-,40-28-,42-29-
InChIKey	WJADEUXGMFYEPZ-XOZANVLDSA-N Google Search
Mol Weight	741.1 g/mol
Molecular Formula	C46H68N4O4
Exact Mass	740.524057 g/mol

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SpectraBase Spectrum ID	DfOTOVpeW3I
Name	21H-Biline-8-propanoic acid, 3-ethyl-1,17,18,19,22,24-hexahydro-2,7,12,13,17,17-hexamethyl-1,19-dioxo-, hexadecyl ester
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	740.524056682 u
Formula	C46H68N4O4
InChI	InChI=1S/C46H68N4O4/c1-9-11-12-13-14-15-16-17-18-19-20-21-22-23-26-54-44(52)25-24-36-33(5)38(28-40-35(10-2)34(6)45(53)49-40)48-41(36)27-37-31(3)32(4)39(47-37)29-42-46(7,8)30-43(51)50-42/h27-29,48H,9-26,30H2,1-8H3,(H,49,53)(H,50,51)/b37-27-,40-28-,42-29-
InChIKey	WJADEUXGMFYEPZ-XOZANVLDSA-N
Molecular Weight	741.074 g/mol
SMILES	C1(=N\C(C(=C1C)C)=C\C=1NC(\C=C\2NC(=O)C(=C2CC)C)=C(C1CCC(=O)OCCCCCCCCCCCCCCCC)C)\C=C\1NC(=O)CC1(C)C