| SpectraBase Compound ID | KeG2hMWUrbE |
|---|---|
| InChI | InChI=1S/C53H86O23/c1-21-31(59)35(63)41(74-44-39(67)36(64)40(22(2)71-44)73-43-37(65)32(60)26(57)19-69-43)46(70-21)76-47(68)53-14-13-48(3,4)15-24(53)23-9-10-29-49(5)16-25(56)42(75-45-38(66)34(62)33(61)27(18-54)72-45)50(6,20-55)28(49)11-12-51(29,7)52(23,8)17-30(53)58/h9,21-22,24-46,54-67H,10-20H2,1-8H3/t21-,22+,24+,25+,26+,27-,28-,29-,30-,31+,32-,33-,34+,35+,36+,37+,38-,39-,40+,41-,42+,43-,44+,45+,46+,49+,50+,51-,52-,53-/m1/s1 |
| InChIKey | YKEHJNBMSGHMPU-XZJGGHPPSA-N |
| Mol Weight | 1091.2 g/mol |
| Molecular Formula | C53H86O23 |
| Exact Mass | 1090.555989 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8FlryK6iRVg |
|---|---|
| Name | BELLIDIASTROSIDE-C2;3-O-BETA-D-GLUCOPYRANOSYL-2-BETA,3-BETA,16-ALPHA,23-TETRAHYDROXYOLEAN-12-EN-28-OIC-ACID-28-O-BETA-D-XYLOPYRANOSYL-(1->4)-ALPHA- |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C53H86O23 |
| InChI | InChI=1S/C53H86O23/c1-21-31(59)35(63)41(74-44-39(67)36(64)40(22(2)71-44)73-43-37(65)32(60)26(57)19-69-43)46(70-21)76-47(68)53-14-13-48(3,4)15-24(53)23-9-10-29-49(5)16-25(56)42(75-45-38(66)34(62)33(61)27(18-54)72-45)50(6,20-55)28(49)11-12-51(29,7)52(23,8)17-30(53)58/h9,21-22,24-46,54-67H,10-20H2,1-8H3/t21-,22+,24+,25+,26+,27-,28-,29-,30-,31+,32-,33-,34+,35+,36+,37+,38-,39-,40+,41-,42+,43-,44+,45+,46+,49+,50+,51-,52-,53-/m1/s1 |
| InChIKey | YKEHJNBMSGHMPU-XZJGGHPPSA-N |
| Literature Reference Author | T.SCHOEPKE,C.AL-TAWAHA,V.WRAY,M.NIMTZ,A.MEYER,K.HILLER |
| Literature Reference Citation | PHYTOCHEM.,40,1489(1995) |
| Literature Reference DOI | 10.1016/0031-9422(95)00432-7 |
| Molecular Weight | 1091.252 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMS2955 |