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1,4-Phenanthrenedione, 3-(acetyloxy)-4b,5,6,7,8,8a-hexahydro-4b,8,8-trimethyl-2-(1-methylethyl)-, (4bS-trans)-
SpectraBase Compound ID Fc3uefcWWNq
InChI InChI=1S/C22H28O4/c1-12(2)16-18(24)14-8-9-15-21(4,5)10-7-11-22(15,6)17(14)19(25)20(16)26-13(3)23/h8-9,12,15H,7,10-11H2,1-6H3/t15-,22-/m0/s1
InChIKey AUCZUDPOAGRJBE-NYHFZMIOSA-N
Mol Weight 356.46 g/mol
Molecular Formula C22H28O4
Exact Mass 356.198759 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GUBFpIIFylp
Name 1,4-Phenanthrenedione, 3-(acetyloxy)-4B,5,6,7,8,8A-hexahydro-4B,8,8-trimethyl-2-(1-methylethyl)-, (4bs-trans)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 356.198759378 u
Formula C22H28O4
InChI InChI=1S/C22H28O4/c1-12(2)16-18(24)14-8-9-15-21(4,5)10-7-11-22(15,6)17(14)19(25)20(16)26-13(3)23/h8-9,12,15H,7,10-11H2,1-6H3/t15-,22-/m0/s1
InChIKey AUCZUDPOAGRJBE-NYHFZMIOSA-N
Molecular Weight 356.462 g/mol
SMILES C12=C(C(=O)C(=C(C2=O)OC(=O)C)C(C)C)C=C[C@@]2([C@@]1(CCCC2(C)C)C)[H]