John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=JoQqvQ5jMjN SpectraBase Spectrum ID=2bqFuBAIyKW

(accessed ).
SAPONIN-T2;ROTUNGENIC-ACID-28-O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID JoQqvQ5jMjN
InChI InChI=1S/C42H68O14/c1-20-10-15-42(36(51)56-35-32(30(49)28(47)23(18-43)54-35)55-34-31(50)29(48)27(46)21(2)53-34)17-16-39(5)22(33(42)41(20,7)52)8-9-25-37(3)13-12-26(45)38(4,19-44)24(37)11-14-40(25,39)6/h8,20-21,23-35,43-50,52H,9-19H2,1-7H3/t20-,21+,23-,24-,25-,26+,27+,28-,29-,30+,31-,32-,33-,34+,35+,37+,38-,39-,40-,41-,42+/m1/s1
InChIKey HBGXNFZHGMEVDE-JITZYVLRSA-N
Mol Weight 797.0 g/mol
Molecular Formula C42H68O14
Exact Mass 796.460907 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2bqFuBAIyKW
Name SAPONIN-T2;ROTUNGENIC-ACID-28-O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSIDE
Compound Number 2
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H68O14
InChI InChI=1S/C42H68O14/c1-20-10-15-42(36(51)56-35-32(30(49)28(47)23(18-43)54-35)55-34-31(50)29(48)27(46)21(2)53-34)17-16-39(5)22(33(42)41(20,7)52)8-9-25-37(3)13-12-26(45)38(4,19-44)24(37)11-14-40(25,39)6/h8,20-21,23-35,43-50,52H,9-19H2,1-7H3/t20-,21+,23-,24-,25-,26+,27+,28-,29-,30+,31-,32-,33-,34+,35+,37+,38-,39-,40-,41-,42+/m1/s1
InChIKey HBGXNFZHGMEVDE-JITZYVLRSA-N
Literature Reference Author A.T.C.TAKETA,E.P.SCHENKEL
Literature Reference Citation ACTA.FARM.BONA.,13,159(1994)
Molecular Weight 796.994 g/mol
Source File Reference UWBT7241
SpectraBase Batch ID 3zRMVedUEfa