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10-Dihydro-guanacone

View entire compound with spectra: 1 MS (GC)

10-Dihydro-guanacone
SpectraBase Compound ID EFvvvFFSzOL
InChI InChI=1S/C37H66O7/c1-3-4-5-6-7-8-12-15-21-31(39)33-23-25-35(43-33)36-26-24-34(44-36)32(40)22-17-16-20-30(38)19-14-11-9-10-13-18-29-27-28(2)42-37(29)41/h27-28,30-36,38-40H,3-26H2,1-2H3/t28-,30?,31-,32+,33+,34+,35+,36+/m0/s1
InChIKey ZKPIIYAYSXXUDC-OKFJYEHJSA-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 2GjYZojNYG
Name 10-Dihydro-guanacone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C37H66O7
InChI InChI=1S/C37H66O7/c1-3-4-5-6-7-8-12-15-21-31(39)33-23-25-35(43-33)36-26-24-34(44-36)32(40)22-17-16-20-30(38)19-14-11-9-10-13-18-29-27-28(2)42-37(29)41/h27-28,30-36,38-40H,3-26H2,1-2H3/t28-,30?,31-,32+,33+,34+,35+,36+/m0/s1
InChIKey ZKPIIYAYSXXUDC-OKFJYEHJSA-N
Molecular Weight 622.928 g/mol
SMILES OC(CCCC[C@]([C@@]1(O[C@]([C@@]2(O[C@]([C@@](O)(CCCCCCCCCC)[H])([H])CC2)[H])([H])CC1)[H])(O)[H])CCCCCCCC=1C(O[C@@](C)(C1)[H])=O
SPLASH splash10-01r7-0096000000-10e5181c95e2d94dd28c
Source of Spectrum G4-61-1005-1
Synonyms (2S)-4-[(13R)-8,13-dihydroxy-13-[(2R,5R)-5-[(2R,5R)-5-[(1S)-1-hydroxyundecyl]-2-oxolanyl]-2-oxolanyl]tridecyl]-2-methyl-2H-furan-5-one (2S)-4-[(13R)-8,13-dihydroxy-13-[(2R,5R)-5-[(2R,5R)-5-[(1S)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one (2S)-4-[(13R)-8,13-bis(oxidanyl)-13-[(2R,5R)-5-[(2R,5R)-5-[(1S)-1-oxidanylundecyl]oxolan-2-yl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one
Wiley ID 1607361