| SpectraBase Compound ID | KyNcmMB3pvZ |
|---|---|
| InChI | InChI=1S/C75H112O36/c1-30-57(107-62-52(90)47(85)40(28-99-62)105-64-53(91)48(86)44(82)37(25-76)102-64)51(89)56(94)63(100-30)109-60-59(108-65-54(92)49(87)45(83)38(26-77)103-65)58(106-43(81)16-11-32-9-12-33(98-8)13-10-32)31(2)101-67(60)111-69(97)74-20-19-70(3,4)23-35(74)34-14-15-41-71(5)24-36(80)61(110-66-55(93)50(88)46(84)39(27-78)104-66)73(7,68(95)96)42(71)17-18-72(41,6)75(34,29-79)22-21-74/h9-14,16,30-31,35-42,44-67,76-80,82-94H,15,17-29H2,1-8H3,(H,95,96)/b16-11+/t30-,31+,35-,36-,37-,38-,39+,40-,41+,42+,44+,45-,46+,47+,48+,49+,50-,51-,52-,53-,54-,55+,56+,57-,58-,59-,60+,61-,62+,63-,64+,65+,66-,67-,71+,72+,73-,74-,75-/m0/s1 |
| InChIKey | BWISCSBGDGATPC-RMFQVLEOSA-N |
| Mol Weight | 1589.7 g/mol |
| Molecular Formula | C75H112O36 |
| Exact Mass | 1588.69333 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2I6r1tSIdGc |
|---|---|
| Name | #3;POLYGALASAPONIN-XXX;3-O-BETA-D-GLUCOPYRANOSYL-PRESENEGENIN-28-O-BETA-D-GALACTOPYRANOSYL-(1->4)-BETA-D-XYLOPYRANOSYL-(1->4)-ALPHA-L-RHAMNOPYRANOSYL-(1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C75H112O36 |
| InChI | InChI=1S/C75H112O36/c1-30-57(107-62-52(90)47(85)40(28-99-62)105-64-53(91)48(86)44(82)37(25-76)102-64)51(89)56(94)63(100-30)109-60-59(108-65-54(92)49(87)45(83)38(26-77)103-65)58(106-43(81)16-11-32-9-12-33(98-8)13-10-32)31(2)101-67(60)111-69(97)74-20-19-70(3,4)23-35(74)34-14-15-41-71(5)24-36(80)61(110-66-55(93)50(88)46(84)39(27-78)104-66)73(7,68(95)96)42(71)17-18-72(41,6)75(34,29-79)22-21-74/h9-14,16,30-31,35-42,44-67,76-80,82-94H,15,17-29H2,1-8H3,(H,95,96)/b16-11+/t30-,31+,35-,36-,37-,38-,39+,40-,41+,42+,44+,45-,46+,47+,48+,49+,50-,51-,52-,53-,54-,55+,56+,57-,58-,59-,60+,61-,62+,63-,64+,65+,66-,67-,71+,72+,73-,74-,75-/m0/s1 |
| InChIKey | BWISCSBGDGATPC-RMFQVLEOSA-N |
| Literature Reference Author | D.ZHANG,T.MIYASE,M.KUROYANAGI,K.UMEHARA,A.UENO |
| Literature Reference Citation | CHEM.PHARM.BULL.,44,810(1996) |
| Literature Reference DOI | 10.1248/cpb.44.810 |
| Molecular Weight | 1589.693 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU31365 |