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13-[(2-O-BETA-D-GLUCOPYRANOSYL-3-O-BETA-D-GLUCOPYRANOSYL-BETA-D-GLUCOPYRANOSYL)-OXY]-16-BETA-HYDROXY-ENT-KAURAN-19-OIC-ACID
SpectraBase Compound ID 2xIGVVYPCpQ
InChI InChI=1S/C38H62O19/c1-34-7-4-8-35(2,33(49)50)19(34)5-9-37-14-36(3,51)38(15-37,10-6-20(34)37)57-32-29(56-31-27(48)25(46)22(43)17(12-40)53-31)28(23(44)18(13-41)54-32)55-30-26(47)24(45)21(42)16(11-39)52-30/h16-32,39-48,51H,4-15H2,1-3H3,(H,49,50)/t16-,17+,18-,19-,20-,21-,22+,23-,24+,25-,26-,27+,28+,29-,30+,31-,32+,34+,35+,36+,37+,38-/m0/s1
InChIKey CLOASJGTMDHLSR-KEJWCSGLSA-N
Mol Weight 822.9 g/mol
Molecular Formula C38H62O19
Exact Mass 822.38853 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2wCkWuH9LsT
Name 13-[(2-O-BETA-D-GLUCOPYRANOSYL-3-O-BETA-D-GLUCOPYRANOSYL-BETA-D-GLUCOPYRANOSYL)-OXY]-16-BETA-HYDROXY-ENT-KAURAN-19-OIC-ACID
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H62O19
InChI InChI=1S/C38H62O19/c1-34-7-4-8-35(2,33(49)50)19(34)5-9-37-14-36(3,51)38(15-37,10-6-20(34)37)57-32-29(56-31-27(48)25(46)22(43)17(12-40)53-31)28(23(44)18(13-41)54-32)55-30-26(47)24(45)21(42)16(11-39)52-30/h16-32,39-48,51H,4-15H2,1-3H3,(H,49,50)/t16-,17+,18-,19-,20-,21-,22+,23-,24+,25-,26-,27+,28+,29-,30+,31-,32+,34+,35+,36+,37+,38-/m0/s1
InChIKey CLOASJGTMDHLSR-KEJWCSGLSA-N
Literature Reference Author V.S.P.CHATURVEDULA,M.UPRETI,I.PRAKASH
Literature Reference Citation MOLECULES,16,3552(2011)
Literature Reference DOI 10.3390/molecules16053552
Molecular Weight 822.899 g/mol
Sample ID 117
Solvent CD3OD