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#4;SANCHKASAPONIN-H;22-O-ANGELOYL-CAMELLIAGENIN-A-3-O-[BETA-D-GALACPYRANOSYL-(1->2)]-[ALPHA-L-RHAMNOPYRANOSYL-(1->2)-BETA-D-GALACTOPYRANOSYL-(1->3)]-BETA-D-GLU
SpectraBase Compound ID 4WZffGT0sI5
InChI InChI=1S/C59H94O25/c1-11-24(2)49(75)79-34-20-54(4,5)18-27-26-12-13-31-56(8)16-15-33(55(6,7)30(56)14-17-57(31,9)58(26,10)19-32(63)59(27,34)23-62)80-53-47(84-51-42(71)39(68)36(65)28(21-60)77-51)44(43(72)45(82-53)48(73)74)81-52-46(40(69)37(66)29(22-61)78-52)83-50-41(70)38(67)35(64)25(3)76-50/h11-12,25,27-47,50-53,60-72H,13-23H2,1-10H3,(H,73,74)/b24-11-/t25-,27+,28-,29+,30+,31-,32-,33+,34+,35-,36+,37-,38+,39+,40-,41+,42-,43-,44-,45-,46+,47+,50-,51+,52-,53+,56+,57-,58-,59+/m1/s1
InChIKey GKKTUPILOBPVDV-TVGBNDLFSA-N
Mol Weight 1203.4 g/mol
Molecular Formula C59H94O25
Exact Mass 1202.608419 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KRQ1cvSS8Ot
Name #4;SANCHKASAPONIN-H;22-O-ANGELOYL-CAMELLIAGENIN-A-3-O-[BETA-D-GALACPYRANOSYL-(1->2)]-[ALPHA-L-RHAMNOPYRANOSYL-(1->2)-BETA-D-GALACTOPYRANOSYL-(1->3)]-BETA-D-GLU
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C59H94O25
InChI InChI=1S/C59H94O25/c1-11-24(2)49(75)79-34-20-54(4,5)18-27-26-12-13-31-56(8)16-15-33(55(6,7)30(56)14-17-57(31,9)58(26,10)19-32(63)59(27,34)23-62)80-53-47(84-51-42(71)39(68)36(65)28(21-60)77-51)44(43(72)45(82-53)48(73)74)81-52-46(40(69)37(66)29(22-61)78-52)83-50-41(70)38(67)35(64)25(3)76-50/h11-12,25,27-47,50-53,60-72H,13-23H2,1-10H3,(H,73,74)/b24-11-/t25-,27+,28-,29+,30+,31-,32-,33+,34+,35-,36+,37-,38+,39+,40-,41+,42-,43-,44-,45-,46+,47+,50-,51+,52-,53+,56+,57-,58-,59+/m1/s1
InChIKey GKKTUPILOBPVDV-TVGBNDLFSA-N
Literature Reference Author S.NAKAMURA,K.FUJIMOTO,S.NAKASHIMA,T.MATSUMOTO,T.MIURA,K.UNO, H.MATSUDA,M.YOSHIKAW
Literature Reference Citation CHEM.PHARM.BULL.,60,752(2012)
Literature Reference DOI 10.1248/cpb.60.752
Molecular Weight 1203.380 g/mol
Source File Reference UWBT4422