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20-ECD 2,3:20,22-diacetonide
SpectraBase Compound ID 3egqCo1cXg0
InChI InChI=1S/C33H52O7/c1-27(2,35)13-12-26-32(9,40-29(5,6)39-26)25-11-15-33(36)20-16-22(34)21-17-23-24(38-28(3,4)37-23)18-30(21,7)19(20)10-14-31(25,33)8/h16,19,21,23-26,35-36H,10-15,17-18H2,1-9H3/t19?,21?,23?,24?,25-,26+,30+,31+,32+,33+/m0/s1
InChIKey WXFMGCVRGSIXOB-VMJLMROPSA-N
Mol Weight 560.8 g/mol
Molecular Formula C33H52O7
Exact Mass 560.371304 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5Sh3LLdxGxH
Name 20-ECD 2,3:20,22-diacetonide
Alternate Name(s) (1S,3aS,10aR,12aR)-3a-hydroxy-1-[(4R,5R)-5-(3-hydroxy-3-methylbutyl)-2,2,4-trimethyl-1,3-dioxolan-4-yl]-8,8,10a,12a-tetramethyl-1,2,3,3a,5a,6,6a,9a,10,10a,10b,11,12,12a-tetradecahydro-5H-cyclopenta[7,8]phenanthro[2,3-d][1,3]dioxol-5-one
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Formula C33H52O7
InChI InChI=1S/C33H52O7/c1-27(2,35)13-12-26-32(9,40-29(5,6)39-26)25-11-15-33(36)20-16-22(34)21-17-23-24(38-28(3,4)37-23)18-30(21,7)19(20)10-14-31(25,33)8/h16,19,21,23-26,35-36H,10-15,17-18H2,1-9H3/t19?,21?,23?,24?,25-,26+,30+,31+,32+,33+/m0/s1
InChIKey WXFMGCVRGSIXOB-VMJLMROPSA-N
Molecular Weight 560.772 g/mol
SMILES OC(CC[C@]1(OC(O[C@@]1([C@@]1([C@]2(CCC3C([C@@]2(CC1)O)=CC(C1CC2OC(OC2C[C@]31C)(C)C)=O)C)[H])C)(C)C)[H])(C)C
SPLASH splash10-004l-0900220000-57df9e10a653c50e5ea2
Source of Spectrum F-51-10644-12
Wiley ID 793735