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#1;ALBIRAMINOL-A;[(3S,4S,4AR,5R,9BR,10R)-1-[(5R,6S,11S,12S)-1,3,7,9-TETRAHYDROXY-5,12-BIS-(4-HYDROXY-PHENYL)-5,6,11,12-TETRAHYDRO-5,11-EPOXY-DIBENZO-[A,
SpectraBase Compound ID 9vV7TPAImZ4
InChI InChI=1S/C84H62O19/c85-43-13-1-36(2-14-43)63-67-55(28-51(93)32-59(67)97)71-76-74-73(63)64(37-3-15-44(86)16-4-37)70(56-29-53(95)35-62-69(56)66(41-25-49(91)27-50(92)26-41)80(101-62)39-7-19-46(88)20-8-39)75(74)79(100)77(83(76)102-81(71)40-9-21-47(89)22-10-40)78-68-57(30-52(94)33-60(68)98)82-65(38-5-17-45(87)18-6-38)72-58(31-54(96)34-61(72)99)84(78,103-82)42-11-23-48(90)24-12-42/h1-35,63-66,70-71,73,78,80-82,85-100H/t63-,64-,65-,66-,70-,71-,73+,78+,80+,81+,82-,84+/m1/s1
InChIKey PYPZAPWCMUNWON-ARSRJDJBSA-N
Mol Weight 1375.4 g/mol
Molecular Formula C84H62O19
Exact Mass 1374.38853 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H38Tk3AnXOd
Name #1;ALBIRAMINOL-A;[(3S,4S,4AR,5R,9BR,10R)-1-[(5R,6S,11S,12S)-1,3,7,9-TETRAHYDROXY-5,12-BIS-(4-HYDROXY-PHENYL)-5,6,11,12-TETRAHYDRO-5,11-EPOXY-DIBENZO-[A,
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C84H62O19
InChI InChI=1S/C84H62O19/c85-43-13-1-36(2-14-43)63-67-55(28-51(93)32-59(67)97)71-76-74-73(63)64(37-3-15-44(86)16-4-37)70(56-29-53(95)35-62-69(56)66(41-25-49(91)27-50(92)26-41)80(101-62)39-7-19-46(88)20-8-39)75(74)79(100)77(83(76)102-81(71)40-9-21-47(89)22-10-40)78-68-57(30-52(94)33-60(68)98)82-65(38-5-17-45(87)18-6-38)72-58(31-54(96)34-61(72)99)84(78,103-82)42-11-23-48(90)24-12-42/h1-35,63-66,70-71,73,78,80-82,85-100H/t63-,64-,65-,66-,70-,71-,73+,78+,80+,81+,82-,84+/m1/s1
InChIKey PYPZAPWCMUNWON-ARSRJDJBSA-N
Literature Reference Author N.ABE,T.ITO,M.OYAMA,R.SAWA,Y.TAKAHASHI,M.IINUMA
Literature Reference Citation CHEM.PHARM.BULL.,59,452(2011)
Literature Reference DOI 10.1248/cpb.59.452
Molecular Weight 1375.405 g/mol
Source File Reference UWIR3102