| SpectraBase Compound ID | BR427vjK0by |
|---|---|
| InChI | InChI=1S/C51H84O25/c1-18-9-31(56)51(67-17-18)19(2)32-26(76-51)12-23-21-11-25(24-10-20(5-7-49(24,3)22(21)6-8-50(23,32)4)68-45-39(63)35(59)33(57)27(13-52)70-45)69-46-41(65)37(61)43(29(15-54)72-46)75-48-42(66)38(62)44(30(16-55)73-48)74-47-40(64)36(60)34(58)28(14-53)71-47/h18-48,52-66H,5-17H2,1-4H3/t18-,19+,20+,21-,22+,23+,24-,25+,26+,27-,28+,29+,30-,31+,32+,33-,34+,35+,36-,37+,38-,39-,40+,41+,42-,43+,44-,45-,46+,47+,48-,49-,50+,51+/m1/s1 |
| InChIKey | ZTRXMIONZASHDG-BRSKIDQNSA-N |
| Mol Weight | 1097.2 g/mol |
| Molecular Formula | C51H84O25 |
| Exact Mass | 1096.530168 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3PiJM69YSxu |
|---|---|
| Name | #4;CANTALASAPONIN-I-B4;(23S,25R)-5-ALPHA-SPIROST-3-BETA,6-ALPHA,23-TRIOL-3-O-BETA-D-GLUCOPYRANOSYL-6-O-[ALPHA-D-GLUCOPYRANOSYL-(1->4)-ALPHA-D-GLUCOPYRANOSYL-(1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C51H84O25 |
| InChI | InChI=1S/C51H84O25/c1-18-9-31(56)51(67-17-18)19(2)32-26(76-51)12-23-21-11-25(24-10-20(5-7-49(24,3)22(21)6-8-50(23,32)4)68-45-39(63)35(59)33(57)27(13-52)70-45)69-46-41(65)37(61)43(29(15-54)72-46)75-48-42(66)38(62)44(30(16-55)73-48)74-47-40(64)36(60)34(58)28(14-53)71-47/h18-48,52-66H,5-17H2,1-4H3/t18-,19+,20+,21-,22+,23+,24-,25+,26+,27-,28+,29+,30-,31+,32+,33-,34+,35+,36-,37+,38-,39-,40+,41+,42-,43+,44-,45-,46+,47+,48-,49-,50+,51+/m1/s1 |
| InChIKey | ZTRXMIONZASHDG-BRSKIDQNSA-N |
| Literature Reference Author | L.P.KANG,Y.Z.WANG,B.FENG,H.Z.HUANG,W.B.ZHOU,Y.ZHAO,C.Q.XIONG ,D.W.TAN,X.B.SONG |
| Literature Reference Citation | MAGN.RES.CHEM.,50,79(2012) |
| Literature Reference DOI | 10.1002/mrc.3797 |
| Molecular Weight | 1097.213 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWBT16028 |