For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Tubeimoside-I
SpectraBase Compound ID 72shxteePXC
InChI InChI=1S/C63H98O29/c1-26-46-47(88-51-43(76)38(71)30(67)22-81-51)45(78)53(84-26)90-48-39(72)31(68)23-82-54(48)92-56(79)63-15-13-57(2,3)17-28(63)27-9-10-35-59(5)18-29(66)50(60(6,25-65)34(59)11-12-62(35,8)61(27,7)14-16-63)91-55-49(42(75)40(73)32(21-64)86-55)89-52-44(77)41(74)33(24-83-52)85-36(69)19-58(4,80)20-37(70)87-46/h9,26,28-35,38-55,64-68,71-78,80H,10-25H2,1-8H3/t26-,28+,29?,30?,31?,32?,33?,34+,35-,38?,39?,40?,41?,42?,43?,44?,45-,46+,47-,48+,49?,50?,51?,52?,53+,54-,55?,58?,59+,60+,61+,62+,63-/m1/s1
InChIKey MCPFEAJYKIXPQF-SXCUFEEXSA-N
Mol Weight 1319.4 g/mol
Molecular Formula C63H98O29
Exact Mass 1318.619377 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID KvwSUdvsVER
Name Tubeimoside-I
Comments C/H - shift correlation
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C63H98O29
InChI InChI=1S/C63H98O29/c1-26-46-47(88-51-43(76)38(71)30(67)22-81-51)45(78)53(84-26)90-48-39(72)31(68)23-82-54(48)92-56(79)63-15-13-57(2,3)17-28(63)27-9-10-35-59(5)18-29(66)50(60(6,25-65)34(59)11-12-62(35,8)61(27,7)14-16-63)91-55-49(42(75)40(73)32(21-64)86-55)89-52-44(77)41(74)33(24-83-52)85-36(69)19-58(4,80)20-37(70)87-46/h9,26,28-35,38-55,64-68,71-78,80H,10-25H2,1-8H3/t26-,28+,29?,30?,31?,32?,33?,34+,35-,38?,39?,40?,41?,42?,43?,44?,45-,46+,47-,48+,49?,50?,51?,52?,53+,54-,55?,58?,59+,60+,61+,62+,63-/m1/s1
InChIKey MCPFEAJYKIXPQF-SXCUFEEXSA-N
Instrument Name SF = 400 MHz
Literature Reference Phytochem. 27, 1439 (1988).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent Pyridine-D5