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15-Acetoxy-8.alpha.,13-epoxy-14-iodolabdano-20,2.beta.lactone
SpectraBase Compound ID Dr688WitVyf
InChI InChI=1S/C22H33IO5/c1-13(24)26-12-17(23)21(5)8-6-16-20(4)11-14-10-19(2,3)15(20)7-9-22(16,28-21)18(25)27-14/h14-17H,6-12H2,1-5H3/t14-,15-,16?,17?,20+,21?,22+/m1/s1
InChIKey VTDYERARBQBIRC-MOZFAKGWSA-N
Mol Weight 504.4 g/mol
Molecular Formula C22H33IO5
Exact Mass 504.137269 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8Rnds3opFu7
Name 15-Acetoxy-8.alpha.,13-epoxy-14-iodolabdano-20,2.beta.lactone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H33IO5
InChI InChI=1S/C22H33IO5/c1-13(24)26-12-17(23)21(5)8-6-16-20(4)11-14-10-19(2,3)15(20)7-9-22(16,28-21)18(25)27-14/h14-17H,6-12H2,1-5H3/t14-,15-,16?,17?,20+,21?,22+/m1/s1
InChIKey VTDYERARBQBIRC-MOZFAKGWSA-N
Molecular Weight 504.405 g/mol
SMILES [C@]123OC(C(COC(=O)C)I)(C)CCC2[C@]2(C[C@](OC3=O)(CC([C@]2(CC1)[H])(C)C)[H])C
SPLASH splash10-001l-0060900000-0cb7807d60d6e217d2ed
Source of Spectrum B-44-487-0
Synonyms 15-acetoxy-8a,13-epoxy-14-iodolabdano-20,2b-lactone 2-iodo-2-[(1S,9R)-3,7,11,11-tetramethyl-15-oxo-2,16-dioxatetracyclo[7.5.2.0(1,6).0(7,12)]hexadec-3-yl]ethyl acetate
Wiley ID 1399466