John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=17o1kc4Y8y8 SpectraBase Spectrum ID=1kf7wwg9pxV

(accessed ).
(+)-2-ALPHA-ACETOXY-2',7-DIDEACETOXY-1-HYDROXYAUSTROSPICATINE
SpectraBase Compound ID 17o1kc4Y8y8
InChI InChI=1S/C39H53NO11/c1-21-29(51-31(45)19-28(40(10)11)27-15-13-12-14-16-27)17-18-38(9)33(21)35(49-25(5)43)39(46)20-30(47-23(3)41)22(2)32(37(39,7)8)34(48-24(4)42)36(38)50-26(6)44/h12-16,28-30,33-36,46H,1,17-20H2,2-11H3/t28?,29-,30-,33?,34+,35-,36-,38+,39+/m0/s1
InChIKey WYAAYNQXAYRFAF-FNXHIVGOSA-N
Mol Weight 711.8 g/mol
Molecular Formula C39H53NO11
Exact Mass 711.361862 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1kf7wwg9pxV
Name (+)-2-ALPHA-ACETOXY-2',7-DIDEACETOXY-1-HYDROXYAUSTROSPICATINE
Compound Number 1
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Formula C39H53NO11
InChI InChI=1S/C39H53NO11/c1-21-29(51-31(45)19-28(40(10)11)27-15-13-12-14-16-27)17-18-38(9)33(21)35(49-25(5)43)39(46)20-30(47-23(3)41)22(2)32(37(39,7)8)34(48-24(4)42)36(38)50-26(6)44/h12-16,28-30,33-36,46H,1,17-20H2,2-11H3/t28?,29-,30-,33?,34+,35-,36-,38+,39+/m0/s1
InChIKey WYAAYNQXAYRFAF-FNXHIVGOSA-N
Literature Reference Author R.P.DOSS,J.R.CARNEY,C.H.SHANKS,R.T.WILLIAMSON,J.D.CHAMBERLAI N
Literature Reference Citation J.NAT.PROD.,60,1130(1997)
Literature Reference DOI 10.1021/np9703353
Molecular Weight 711.850 g/mol
Solvent CDCl3
Source File Reference WANG553
SpectraBase Batch ID 9hyn8UcCB6g