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(2S,4R,29R,30R,31R,32R,35R)-2,4,8,12,14-pentamethylpentatetracontane-1,6,7,9,11,13,15,17,19,21,23,24,25,26,27,29,30,31,32,33,35-henicosol
SpectraBase Compound ID Byu1uYx8KVk
InChI InChI=1S/C50H102O21/c1-7-8-9-10-11-12-13-14-15-31(52)20-39(60)45(66)49(70)47(68)41(62)24-42(63)48(69)50(71)46(67)40(61)22-34(55)19-32(53)18-33(54)21-35(56)28(4)43(64)29(5)36(57)23-37(58)30(6)44(65)38(59)17-26(2)16-27(3)25-51/h26-71H,7-25H2,1-6H3/t26-,27+,28?,29?,30?,31-,32?,33?,34?,35?,36?,37?,38?,39?,40?,41-,42?,43?,44?,45-,46?,47-,48?,49-,50?/m1/s1
InChIKey ZKFOAOUNSJFRGZ-JEEAWHRZSA-N
Mol Weight 1039.3 g/mol
Molecular Formula C50H102O21
Exact Mass 1038.69136 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AnOCx8bNKoZ
Name (2S,4R,29R,30R,31R,32R,35R)-2,4,8,12,14-pentamethylpentatetracontane-1,6,7,9,11,13,15,17,19,21,23,24,25,26,27,29,30,31,32,33,35-henicosol
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C50H102O21
InChI InChI=1S/C50H102O21/c1-7-8-9-10-11-12-13-14-15-31(52)20-39(60)45(66)49(70)47(68)41(62)24-42(63)48(69)50(71)46(67)40(61)22-34(55)19-32(53)18-33(54)21-35(56)28(4)43(64)29(5)36(57)23-37(58)30(6)44(65)38(59)17-26(2)16-27(3)25-51/h26-71H,7-25H2,1-6H3/t26-,27+,28?,29?,30?,31-,32?,33?,34?,35?,36?,37?,38?,39?,40?,41-,42?,43?,44?,45-,46?,47-,48?,49-,50?/m1/s1
InChIKey ZKFOAOUNSJFRGZ-JEEAWHRZSA-N
Literature Reference Author S.SAKUDA,H.IKEDA,T.NAKAMURA,R.KAWACHI,T.KONDO,M.ONO,M.SAKURA DA,H.INAGAKI,R.ITO,H
Literature Reference Citation J.ANTIBIOTICS,53,1378(2000)
Literature Reference DOI 10.7164/antibiotics.53.1378
Molecular Weight 1039.347 g/mol
Solvent PYRIDINE-D5
Source File Reference UWRU3972