SpectraBase Compound ID | 7mOwGNccDis |
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InChI | InChI=1S/C52H84O21/c1-47(2)14-16-52(46(65)73-44-39(64)36(61)34(59)28(20-54)69-44)17-15-50(6)23(24(52)18-47)8-9-30-49(5)12-11-31(48(3,4)29(49)10-13-51(30,50)7)70-45-41(72-43-38(63)35(60)33(58)27(19-53)68-43)40(26(56)22-67-45)71-42-37(62)32(57)25(55)21-66-42/h8,24-45,53-64H,9-22H2,1-7H3/t24-,25-,26-,27-,28+,29-,30+,31?,32-,33-,34+,35+,36-,37+,38-,39+,40-,41+,42-,43+,44-,45-,49-,50+,51+,52-/m0/s1 |
InChIKey | UCGMGFLTNMXEHT-KSFSAADUSA-N |
Mol Weight | 1045.2 g/mol |
Molecular Formula | C52H84O21 |
Exact Mass | 1044.55051 g/mol |
SpectraBase Spectrum ID | AB4p7syv7to |
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Name | INDICASAPONIN-B;3-O-[[BETA-D-GLUCOPYRANOSYL-(1->2)]-[ALPHA-L-ARABINOPYRANOSYL-(1->3)]-ALPHA-L-ARABINOPYRANOSYL]-OLEANOLIC-ACID-28-O-[BETA-D- |
Compound Number | 3 |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C52H84O21 |
InChI | InChI=1S/C52H84O21/c1-47(2)14-16-52(46(65)73-44-39(64)36(61)34(59)28(20-54)69-44)17-15-50(6)23(24(52)18-47)8-9-30-49(5)12-11-31(48(3,4)29(49)10-13-51(30,50)7)70-45-41(72-43-38(63)35(60)33(58)27(19-53)68-43)40(26(56)22-67-45)71-42-37(62)32(57)25(55)21-66-42/h8,24-45,53-64H,9-22H2,1-7H3/t24-,25-,26-,27-,28+,29-,30+,31?,32-,33-,34+,35+,36-,37+,38-,39+,40-,41+,42-,43+,44-,45-,49-,50+,51+,52-/m0/s1 |
InChIKey | UCGMGFLTNMXEHT-KSFSAADUSA-N |
Literature Reference Author | K.H.SHAKER,M.BERNHARDT,M.H.A.ELGAMAL,K.EIFERT |
Literature Reference Citation | PHYTOCHEM.,51,1049(1999) |
Literature Reference DOI | 10.1016/S0031-9422(98)00750-X |
Molecular Weight | 1045.226 g/mol |
Solvent | CD3OD |
Source File Reference | UWVN11015 |