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(2S,3R,4R,5R,6S)-2-[[(1R,3aR,5S,8aR)-5-[2-[(3R,5aR,6R,7S)-2,2,5a,7-tetramethyl-3,7-bis(oxidanyl)-4,5,6,8,9,9a-hexahydro-3H-benzo[b]oxepin-6-yl]ethyl]-1,4,4,6-tetramethyl-2,3,3a,5,8,8a-hexahydroazulen-1-yl]oxy]-6-methyl-oxane-3,4,5-triol

View entire compound with spectra: 1 MS (GC)

(2S,3R,4R,5R,6S)-2-[[(1R,3aR,5S,8aR)-5-[2-[(3R,5aR,6R,7S)-2,2,5a,7-tetramethyl-3,7-bis(oxidanyl)-4,5,6,8,9,9a-hexahydro-3H-benzo[b]oxepin-6-yl]ethyl]-1,4,4,6-tetramethyl-2,3,3a,5,8,8a-hexahydroazulen-1-yl]oxy]-6-methyl-oxane-3,4,5-triol
SpectraBase Compound ID 3NCrKapi490
InChI InChI=1S/C36H62O8/c1-20-10-11-24-23(14-19-36(24,9)44-31-30(40)29(39)28(38)21(2)42-31)32(3,4)22(20)12-13-25-34(7)17-15-26(37)33(5,6)43-27(34)16-18-35(25,8)41/h10,21-31,37-41H,11-19H2,1-9H3/t21-,22-,23+,24+,25+,26+,27?,28-,29+,30+,31-,34+,35-,36+/m0/s1
InChIKey YDXLHORABGUKRX-UUVNUXJASA-N
Mol Weight 622.9 g/mol
Molecular Formula C36H62O8
Exact Mass 622.444469 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4VvAeEtSBhA
Name (2S,3R,4R,5R,6S)-2-[[(1R,3aR,5S,8aR)-5-[2-[(3R,5aR,6R,7S)-2,2,5a,7-tetramethyl-3,7-bis(oxidanyl)-4,5,6,8,9,9a-hexahydro-3H-benzo[b]oxepin-6-yl]ethyl]-1,4,4,6-tetramethyl-2,3,3a,5,8,8a-hexahydroazulen-1-yl]oxy]-6-methyl-oxane-3,4,5-triol
Alternate Name(s) (2S,3R,4R,5R,6S)-2-[[(1R,3aR,5S,8aR)-5-[2-[(3R,5aR,6R,7S)-3,7-dihydroxy-2,2,5a,7-tetramethyl-4,5,6,8,9,9a-hexahydro-3H-benzo[b]oxepin-6-yl]ethyl]-1,4,4,6-tetramethyl-2,3,3a,5,8,8a-hexahydroazulen-1-yl]oxy]-6-methyl-tetrahydropyran-3,4,5-triol (2S,3R,4R,5R,6S)-2-[[(1R,3aR,5S,8aR)-5-[2-[(3R,5aR,6R,7S)-3,7-dihydroxy-2,2,5a,7-tetramethyl-4,5,6,8,9,9a-hexahydro-3H-benzo[b]oxepin-6-yl]ethyl]-1,4,4,6-tetramethyl-2,3,3a,5,8,8a-hexahydroazulen-1-yl]oxy]-6-methyloxane-3,4,5-triol
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Formula C36H62O8
InChI InChI=1S/C36H62O8/c1-20-10-11-24-23(14-19-36(24,9)44-31-30(40)29(39)28(38)21(2)42-31)32(3,4)22(20)12-13-25-34(7)17-15-26(37)33(5,6)43-27(34)16-18-35(25,8)41/h10,21-31,37-41H,11-19H2,1-9H3/t21-,22-,23+,24+,25+,26+,27?,28-,29+,30+,31-,34+,35-,36+/m0/s1
InChIKey YDXLHORABGUKRX-UUVNUXJASA-N
Molecular Weight 622.884 g/mol
SMILES O[C@]1([C@]([C@](O[C@]2([C@]3([C@](C([C@@](CC[C@]4([C@](CCC5[C@@]4(CC[C@](C(O5)(C)C)(O)[H])C)(O)C)[H])(C(=CC3)C)[H])(C)C)(CC2)[H])[H])C)(O[C@]([C@@]1(O)[H])(C)[H])[H])(O)[H])[H]
SPLASH splash10-052f-0000901000-c90ad59d9491eb382ca7
Source of Spectrum G4-64-179-8
Wiley ID 1608764