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SITAKISOSIDE_XII;3-BETA-D-XYLOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSIDO_21-O-(6-O-TIGLOYL)-[BETA-D
SpectraBase Compound ID GjhX8DrW2EV
InChI InChI=1S/C64H104O29/c1-10-26(2)53(82)83-24-33-52(93-58-50(80)43(73)40(70)30(20-65)87-58)46(76)51(81)57(90-33)92-38-19-64(25-66)28(17-59(38,3)4)27-11-12-35-61(7)15-14-37(60(5,6)34(61)13-16-62(35,8)63(27,9)18-36(64)68)91-56-49(79)45(75)42(72)32(89-56)23-86-55-48(78)44(74)41(71)31(88-55)22-85-54-47(77)39(69)29(67)21-84-54/h10-11,28-52,54-58,65-81H,12-25H2,1-9H3/b26-10+/t28-,29+,30-,31+,32+,33+,34?,35?,36-,37-,38-,39-,40-,41+,42+,43+,44-,45-,46+,47+,48+,49+,50-,51+,52+,54-,55+,56-,57-,58+,61-,62+,63+,64+/m0/s1
InChIKey VOTNOPSRCDTMJQ-ZNYYHZQFSA-N
Mol Weight 1337.5 g/mol
Molecular Formula C64H104O29
Exact Mass 1336.666327 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DdtLn9ejVWa
Name SITAKISOSIDE_XII;3-BETA-D-XYLOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSIDO_21-O-(6-O-TIGLOYL)-[BETA-D
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C64H104O29
InChI InChI=1S/C64H104O29/c1-10-26(2)53(82)83-24-33-52(93-58-50(80)43(73)40(70)30(20-65)87-58)46(76)51(81)57(90-33)92-38-19-64(25-66)28(17-59(38,3)4)27-11-12-35-61(7)15-14-37(60(5,6)34(61)13-16-62(35,8)63(27,9)18-36(64)68)91-56-49(79)45(75)42(72)32(89-56)23-86-55-48(78)44(74)41(71)31(88-55)22-85-54-47(77)39(69)29(67)21-84-54/h10-11,28-52,54-58,65-81H,12-25H2,1-9H3/b26-10+/t28-,29+,30-,31+,32+,33+,34?,35?,36-,37-,38-,39-,40-,41+,42+,43+,44-,45-,46+,47+,48+,49+,50-,51+,52+,54-,55+,56-,57-,58+,61-,62+,63+,64+/m0/s1
InChIKey VOTNOPSRCDTMJQ-ZNYYHZQFSA-N
Literature Reference Author K.YOSHIKAWA,A.MIZUTANI,Y.KAN,S.ARIHARA
Literature Reference Citation CHEM.PHARM.BULL.,45,62(1997)
Literature Reference DOI 10.1248/cpb.45.62
Molecular Weight 1337.512 g/mol
Solvent C5D5N
Source File Reference UWMZ22122