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1-METHYL-7-AZA-BICYCLO[4.1.0]HEPTA-2,4-DIENE-7-CARBOXYLIC ACID 3,17-DIACETOXY-4,4,10,13-TETRAMETHYL-HEXADECAHYDRO-CYCLOPENTA[A]PHENA
SpectraBase Compound ID G8uqxIkc51l
InChI InChI=1S/C25H40O4.C8H9NO2/c1-15(26)28-21-12-14-24(5)19-11-13-25(6)18(8-10-22(25)29-16(2)27)17(19)7-9-20(24)23(21,3)4;1-8-5-3-2-4-6(8)9(8)7(10)11/h17-22H,7-14H2,1-6H3;2-6H,1H3,(H,10,11)
InChIKey QDWGENMBVDVVDC-UHFFFAOYSA-N
Mol Weight 555.8 g/mol
Molecular Formula C33H49NO6
Exact Mass 555.355988 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LCHvj6YObQz
Name 1-METHYL-7-AZABICYCLO[4.1.0]HEPTA-2,4-DIENE-7-CARBOXYLIC ACID, 3,17-DIACETOXY-4,4,10,13-TETRAMETHYLHEXADECAHYDROCYCLOPENTA[a]PHENA
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C33H47NO6
InChI InChI=1S/C25H40O4.C8H9NO2/c1-15(26)28-21-12-14-24(5)19-11-13-25(6)18(8-10-22(25)29-16(2)27)17(19)7-9-20(24)23(21,3)4;1-8-5-3-2-4-6(8)9(8)7(10)11/h17-22H,7-14H2,1-6H3;2-6H,1H3,(H,10,11)
InChIKey QDWGENMBVDVVDC-UHFFFAOYSA-N
Molecular Weight 555.3547
SMILES OC(N1C2(C)C=CC=CC12)=O.C1CC2(C)C3CCC4(C)C(OC(=O)C)CCC4C3CCC2C(C)(C)C1OC(=O)C
SPLASH splash10-05mo-9510000000-7efd8c1d2019ccb4d050
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany