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14-Hydroxy-25-desoxyrollinicin

View entire compound with spectra: 1 NMR, and 2 MS (GC)

14-Hydroxy-25-desoxyrollinicin
SpectraBase Compound ID LYd1Enq3gcI
InChI InChI=1S/C37H66O7/c1-3-4-5-6-7-12-15-18-21-30(38)32-23-24-33(43-32)34-25-26-35(44-34)36(40)31(39)22-19-16-13-10-8-9-11-14-17-20-29-27-28(2)42-37(29)41/h27-28,30-36,38-40H,3-26H2,1-2H3
InChIKey LOBTVFMXMAFWGY-UHFFFAOYSA-N
Mol Weight 622.9 g/mol
Molecular Formula C37H66O7
Exact Mass 622.480854 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2xxAPF39fs
Name 14-Hydroxy-25-desoxyrollinicin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C37H66O7
InChI InChI=1S/C37H66O7/c1-3-4-5-6-7-12-15-18-21-30(38)32-23-24-33(43-32)34-25-26-35(44-34)36(40)31(39)22-19-16-13-10-8-9-11-14-17-20-29-27-28(2)42-37(29)41/h27-28,30-36,38-40H,3-26H2,1-2H3
InChIKey LOBTVFMXMAFWGY-UHFFFAOYSA-N
Molecular Weight 622.928 g/mol
SMILES OC(C1OC(C2OC(C(C(CCCCCCCCCCCC=3C(OC(C)C3)=O)O)O)CC2)CC1)CCCCCCCCCC
SPLASH splash10-03xr-7219000000-c68b82649b0d568e0ddf
Source of Spectrum X2-49-685-1
Synonyms 14-Hydroxy-25-desoxy-Rollinicin 4-[12,13-dihydroxy-13-[5-[5-(1-hydroxyundecyl)-2-oxolanyl]-2-oxolanyl]tridecyl]-2-methyl-2H-furan-5-one 4-[12,13-dihydroxy-13-[5-[5-(1-hydroxyundecyl)oxolan-2-yl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one 4-[12,13-bis(oxidanyl)-13-[5-[5-(1-oxidanylundecyl)oxolan-2-yl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one
Wiley ID 1601973