John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=9v0Ofn7zvep SpectraBase Spectrum ID=1kJgmvokfiB

(accessed ).
(23S)-SPIROSTA-5,25(27)-DIENE-1-BETA,3-BETA,23-TRIOL-1-O-[O-(4-O-ACETYL-ALPHA-L-RHAMNOPYRANOSYL)-(1->2)-O-[BETA-D-XYLOPARANOSYL-(1->3)]-ALPHA-L-ARA
SpectraBase Compound ID 9v0Ofn7zvep
InChI InChI=1S/C45H68O18/c1-18-11-30(50)45(57-15-18)19(2)32-29(63-45)14-26-24-8-7-22-12-23(47)13-31(44(22,6)25(24)9-10-43(26,32)5)60-42-39(62-41-36(54)34(52)37(20(3)58-41)59-21(4)46)38(28(49)17-56-42)61-40-35(53)33(51)27(48)16-55-40/h7,19-20,23-42,47-54H,1,8-17H2,2-6H3/t19-,20+,23+,24+,25-,26-,27+,28+,29-,30-,31+,32-,33-,34+,35+,36-,37+,38+,39-,40-,41+,42+,43-,44-,45-/m0/s1
InChIKey IFRBWMPNJRIBIZ-IHNCKRDTSA-N
Mol Weight 897.0 g/mol
Molecular Formula C45H68O18
Exact Mass 896.440566 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1kJgmvokfiB
Name (23S)-SPIROSTA-5,25(27)-DIENE-1-BETA,3-BETA,23-TRIOL-1-O-[O-(4-O-ACETYL-ALPHA-L-RHAMNOPYRANOSYL)-(1->2)-O-[BETA-D-XYLOPARANOSYL-(1->3)]-ALPHA-L-ARA
Compound Number 3
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C45H68O18
InChI InChI=1S/C45H68O18/c1-18-11-30(50)45(57-15-18)19(2)32-29(63-45)14-26-24-8-7-22-12-23(47)13-31(44(22,6)25(24)9-10-43(26,32)5)60-42-39(62-41-36(54)34(52)37(20(3)58-41)59-21(4)46)38(28(49)17-56-42)61-40-35(53)33(51)27(48)16-55-40/h7,19-20,23-42,47-54H,1,8-17H2,2-6H3/t19-,20+,23+,24+,25-,26-,27+,28+,29-,30-,31+,32-,33-,34+,35+,36-,37+,38+,39-,40-,41+,42+,43-,44-,45-/m0/s1
InChIKey IFRBWMPNJRIBIZ-IHNCKRDTSA-N
Literature Reference Author Y.MIMAKI,T.INOUE,M.KURODA,Y.SASHIDA
Literature Reference Citation PHYTOCHEM.,43,1325(1996)
Literature Reference DOI 10.1016/S0031-9422(96)00397-4
Molecular Weight 897.024 g/mol
Solvent C5D5N
Source File Reference UWMS2420
SpectraBase Batch ID IsztqTLRFzm