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ROSELIPIN-1B
SpectraBase Compound ID EvKQgHIt5mI
InChI InChI=1S/C40H72O14/c1-11-20(2)12-21(3)13-26(8)38(54-40-37(50)36(49)35(48)31(18-42)53-40)27(9)15-24(6)32(45)22(4)14-23(5)33(46)25(7)16-28(10)39(51)52-19-30(44)34(47)29(43)17-41/h14-16,20-22,25-27,29-38,40-50H,11-13,17-19H2,1-10H3/b23-14+,24-15+,28-16+/t20?,21?,22?,25?,26?,27?,29-,30-,31+,32?,33?,34-,35+,36-,37-,38?,40-/m1/s1
InChIKey PQKVMUDGLBZIJJ-MCHZVIHFSA-N
Mol Weight 777.0 g/mol
Molecular Formula C40H72O14
Exact Mass 776.492207 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CuzBZ8EUYsj
Name ROSELIPIN-1B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H72O14
InChI InChI=1S/C40H72O14/c1-11-20(2)12-21(3)13-26(8)38(54-40-37(50)36(49)35(48)31(18-42)53-40)27(9)15-24(6)32(45)22(4)14-23(5)33(46)25(7)16-28(10)39(51)52-19-30(44)34(47)29(43)17-41/h14-16,20-22,25-27,29-38,40-50H,11-13,17-19H2,1-10H3/b23-14+,24-15+,28-16+/t20?,21?,22?,25?,26?,27?,29-,30-,31+,32?,33?,34-,35+,36-,37-,38?,40-/m1/s1
InChIKey PQKVMUDGLBZIJJ-MCHZVIHFSA-N
Literature Reference Author N.TABATA,Y.OHYAMA,H.TOMODA,T.ABE,M.NAMIKOSHI,S.OMURA
Literature Reference Citation J.ANTIBIOTICS,52,815(1999)
Literature Reference DOI 10.7164/antibiotics.52.815
Molecular Weight 777.003 g/mol
Solvent CD3OD
Source File Reference UWRU1039