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3-O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-O-[BETA-D-GLUCOPYRANOSYL-(1->3)]-BETA-D-GALACTOPYRANOSYL-PREGNA-5,16-DIEN-3-BETA-OL-20-ONE
SpectraBase Compound ID LRwSq7tAWdG
InChI InChI=1S/C39H60O16/c1-16(42)21-7-8-22-20-6-5-18-13-19(9-11-38(18,3)23(20)10-12-39(21,22)4)51-37-34(55-35-31(48)29(46)26(43)17(2)50-35)33(28(45)25(15-41)53-37)54-36-32(49)30(47)27(44)24(14-40)52-36/h5,7,17,19-20,22-37,40-41,43-49H,6,8-15H2,1-4H3/t17-,19+,20+,22+,23+,24-,25-,26-,27-,28+,29+,30+,31+,32-,33+,34-,35-,36+,37-,38+,39-/m1/s1
InChIKey VZYCYPQHUZOSIT-VIMIIGEJSA-N
Mol Weight 784.9 g/mol
Molecular Formula C39H60O16
Exact Mass 784.388136 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9V4QSajvJzw
Name 3-O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-O-[BETA-D-GLUCOPYRANOSYL-(1->3)]-BETA-D-GALACTOPYRANOSYL-PREGNA-5,16-DIEN-3-BETA-OL-20-ONE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C39H60O16
InChI InChI=1S/C39H60O16/c1-16(42)21-7-8-22-20-6-5-18-13-19(9-11-38(18,3)23(20)10-12-39(21,22)4)51-37-34(55-35-31(48)29(46)26(43)17(2)50-35)33(28(45)25(15-41)53-37)54-36-32(49)30(47)27(44)24(14-40)52-36/h5,7,17,19-20,22-37,40-41,43-49H,6,8-15H2,1-4H3/t17-,19+,20+,22+,23+,24-,25-,26-,27-,28+,29+,30+,31+,32-,33+,34-,35-,36+,37-,38+,39-/m1/s1
InChIKey VZYCYPQHUZOSIT-VIMIIGEJSA-N
Literature Reference Author M.ONO,Y.UENOSONO,H.UMAOKA,Y.SHIONO,T.IKEDA,M.OKAWA,J.KINJO,H .YOSHIMITSZ,T.NOHARA
Literature Reference Citation CHEM.PHARM.BULL.,57,759(2009)
Literature Reference DOI 10.1248/cpb.57.759
Molecular Weight 784.896 g/mol
Sample ID 2803
Solvent C5D5N