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8-Epi-9-Deoxy-15-methoxymethoxycotylenol

View entire compound with spectra: 1 MS (GC)

8-Epi-9-Deoxy-15-methoxymethoxycotylenol
SpectraBase Compound ID 8BfhT8bgBuR
InChI InChI=1S/C23H38O5/c1-15-16-7-10-23(25,13-26-5)19(16)12-22(4)9-8-17(18(22)11-20(15)24)21(2,3)28-14-27-6/h12,15-16,20,24-25H,7-11,13-14H2,1-6H3/b19-12+/t15-,16+,20-,22-,23+/m1/s1
InChIKey PBBJOROAAJNEFJ-BUNRCOLSSA-N
Mol Weight 394.6 g/mol
Molecular Formula C23H38O5
Exact Mass 394.271924 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GZ2OZL3xEI2
Name 8-Epi-9-Deoxy-15-methoxymethoxycotylenol
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H38O5
InChI InChI=1S/C23H38O5/c1-15-16-7-10-23(25,13-26-5)19(16)12-22(4)9-8-17(18(22)11-20(15)24)21(2,3)28-14-27-6/h12,15-16,20,24-25H,7-11,13-14H2,1-6H3/b19-12+/t15-,16+,20-,22-,23+/m1/s1
InChIKey PBBJOROAAJNEFJ-BUNRCOLSSA-N
Molecular Weight 394.552 g/mol
SMILES O[C@@]1(CC=2[C@@](\C=C\3[C@@](CC[C@]3([C@]1(C)[H])[H])(O)COC)(CCC2C(OCOC)(C)C)C)[H]
SPLASH splash10-0006-0900000000-4fb5ab07288d93d821b3
Source of Spectrum AJ-71-1179-33
Synonyms (1R,3aS,4R,5R,9aR)-7-[1-(methoxymethoxy)-1-methylethyl]-1-(methoxymethyl)-4,9a-dimethyl-1,2,3,3a,4,5,6,8,9,9a-decahydrodicyclopenta[a,d]cyclooctene-1,5-diol
Wiley ID 774271