John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=82QNRdCZ4GU SpectraBase Spectrum ID=8kVGXQ8ylTt

(accessed ).
DELTA(5)-PREGNENE-3-BETA,16-BETA,20(R)-TRIOL-3-O-[2-O-ACETYL-BETA-D-DIGITALOPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSIDE]-20-O-[BETA-D-GLUCOPYRANOSYL-(1->6)-BETA-D
SpectraBase Compound ID 82QNRdCZ4GU
InChI InChI=1S/C56H92O25/c1-22(73-53-50(48(70-10)39(61)23(2)74-53)81-52-45(67)43(65)41(63)35(79-52)21-71-51-44(66)42(64)40(62)34(20-57)78-51)37-32(59)18-31-29-12-11-27-17-28(13-15-55(27,6)30(29)14-16-56(31,37)7)77-36-19-33(68-8)46(25(4)72-36)80-54-49(76-26(5)58)47(69-9)38(60)24(3)75-54/h11,22-25,28-54,57,59-67H,12-21H2,1-10H3/t22?,23-,24-,25+,28-,29+,30-,31-,32-,33-,34-,35-,36-,37-,38+,39+,40-,41-,42+,43+,44-,45-,46+,47+,48+,49-,50-,51-,52+,53-,54+,55-,56-/m0/s1
InChIKey JNINMHDUXJEVTJ-FFORYAQASA-N
Mol Weight 1165.3 g/mol
Molecular Formula C56H92O25
Exact Mass 1164.592769 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8kVGXQ8ylTt
Name DELTA(5)-PREGNENE-3-BETA,16-BETA,20(R)-TRIOL-3-O-[2-O-ACETYL-BETA-D-DIGITALOPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSIDE]-20-O-[BETA-D-GLUCOPYRANOSYL-(1->6)-BETA-D
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C56H92O25
InChI InChI=1S/C56H92O25/c1-22(73-53-50(48(70-10)39(61)23(2)74-53)81-52-45(67)43(65)41(63)35(79-52)21-71-51-44(66)42(64)40(62)34(20-57)78-51)37-32(59)18-31-29-12-11-27-17-28(13-15-55(27,6)30(29)14-16-56(31,37)7)77-36-19-33(68-8)46(25(4)72-36)80-54-49(76-26(5)58)47(69-9)38(60)24(3)75-54/h11,22-25,28-54,57,59-67H,12-21H2,1-10H3/t22?,23-,24-,25+,28-,29+,30-,31-,32-,33-,34-,35-,36-,37-,38+,39+,40-,41-,42+,43+,44-,45-,46+,47+,48+,49-,50-,51-,52+,53-,54+,55-,56-/m0/s1
InChIKey JNINMHDUXJEVTJ-FFORYAQASA-N
Literature Reference Author H.ITOKAWA,J.XU,K.TAKEYA
Literature Reference Citation PHYTOCHEM.,27,1173(1988)
Literature Reference DOI 10.1016/0031-9422(88)80297-8
Molecular Weight 1165.331 g/mol
Solvent PYRIDINE-D5
Source File Reference UWBK1397
SpectraBase Batch ID 6xYqPmesTGc