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(2S,3S,4S,5R,6R)-6-[[(3S,6aR,6bS,7R,8S,8aS,9R,10R,12aS,14aR,14bR)-7,8,9,10-tetrahydroxy-4,4,6a,6b,11,11,14b-heptamethyl-8a-methylol-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3-[(2R,3S,4S,5R)-3,4-dihydroxy-5-methylol-tetrahydrofuran
SpectraBase Compound ID AOJBGmmpnkC
InChI InChI=1S/C48H78O21/c1-43(2)15-20-19-9-10-24-45(5)13-12-25(44(3,4)23(45)11-14-46(24,6)47(19,7)36(59)38(61)48(20,18-51)37(60)35(43)58)66-42-33(68-41-30(56)28(54)26(52)21(16-49)64-41)31(57)32(34(69-42)39(62)63-8)67-40-29(55)27(53)22(17-50)65-40/h9,20-38,40-42,49-61H,10-18H2,1-8H3/t20-,21+,22+,23?,24+,25-,26+,27+,28-,29-,30+,31-,32-,33+,34-,35-,36-,37-,38+,40+,41-,42+,45-,46+,47-,48+/m0/s1
InChIKey HAKHPDLODDSOTK-MXPXATEMSA-N
Mol Weight 991.1 g/mol
Molecular Formula C48H78O21
Exact Mass 990.50356 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LYwp9QS8RQl
Name (2S,3S,4S,5R,6R)-6-[[(3S,6aR,6bS,7R,8S,8aS,9R,10R,12aS,14aR,14bR)-7,8,9,10-tetrahydroxy-4,4,6a,6b,11,11,14b-heptamethyl-8a-methylol-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3-[(2R,3S,4S,5R)-3,4-dihydroxy-5-methylol-tetrahydrofuran
Compound Number 1D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C48H78O21
InChI InChI=1S/C48H78O21/c1-43(2)15-20-19-9-10-24-45(5)13-12-25(44(3,4)23(45)11-14-46(24,6)47(19,7)36(59)38(61)48(20,18-51)37(60)35(43)58)66-42-33(68-41-30(56)28(54)26(52)21(16-49)64-41)31(57)32(34(69-42)39(62)63-8)67-40-29(55)27(53)22(17-50)65-40/h9,20-38,40-42,49-61H,10-18H2,1-8H3/t20-,21+,22+,23?,24+,25-,26+,27+,28-,29-,30+,31-,32-,33+,34-,35-,36-,37-,38+,40+,41-,42+,45-,46+,47-,48+/m0/s1
InChIKey HAKHPDLODDSOTK-MXPXATEMSA-N
Literature Reference Author M.TANG,D.SHEN,Y.HU,S.GAO,S.YU
Literature Reference Citation J.NAT.PROD.,67,1969(2004)
Literature Reference DOI 10.1021/np040013g
Molecular Weight 991.135 g/mol
Solvent C5D5N
Source File Reference UWMZ10408