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2H-Pyran-2-acetic acid, 4,5-bis(acetyloxy)-6-[2-[2-[5-(6-ethyl-3,6-dihydro-5-methyl-2H-pyran- 2-yl)-3-methyl-1,4-hexadienyl]-3-methylcyclopropyl]ethenyl]tetrahydro -
SpectraBase Compound ID HOfSkeZDD13
InChI InChI=1S/C32H46O8/c1-8-27-19(3)10-13-28(40-27)20(4)15-18(2)9-11-25-21(5)26(25)12-14-29-32(38-23(7)34)30(37-22(6)33)16-24(39-29)17-31(35)36/h9-12,14-15,18,21,24-30,32H,8,13,16-17H2,1-7H3,(H,35,36)/b11-9+,14-12+,20-15+
InChIKey ZSXAMAHMSVCLEM-RZDHWHSOSA-N
Mol Weight 558.7 g/mol
Molecular Formula C32H46O8
Exact Mass 558.319268 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5fDqB6DKLEQ
Name 2H-Pyran-2-acetic acid, 4,5-bis(acetyloxy)-6-[2-[2-[5-(6-ethyl-3,6-dihydro-5-methyl-2H-pyran- 2-yl)-3-methyl-1,4-hexadienyl]-3-methylcyclopropyl]ethenyl]tetrahydro -
CAS Registry Number 63511-83-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H46O8
InChI InChI=1S/C32H46O8/c1-8-27-19(3)10-13-28(40-27)20(4)15-18(2)9-11-25-21(5)26(25)12-14-29-32(38-23(7)34)30(37-22(6)33)16-24(39-29)17-31(35)36/h9-12,14-15,18,21,24-30,32H,8,13,16-17H2,1-7H3,(H,35,36)/b11-9+,14-12+,20-15+
InChIKey ZSXAMAHMSVCLEM-RZDHWHSOSA-N
Molecular Weight 558.712 g/mol
SMILES OC(CC1OC(C(C(OC(=O)C)C1)OC(=O)C)\C=C\C1C(\C=C\C(\C=C\(C2OC(CC)C(=CC2)C)C)C)C1C)=O
SPLASH splash10-0007-0911140000-862671d17d6bc9f281fa
Source of Spectrum J-43-4607-0
Synonyms (8E)-5,6-di-O-acetyl-3,7-anhydro-2,4,8,9-tetradeoxy-9-{2-[(1E,4E)-5-(6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-yl)-3-methyl-1,4-hexadienyl]-3-methylcyclopropyl}non-8-enonic acid 5-epi-5,6-diacetoxypolyangioic acid
Wiley ID 1406584