| SpectraBase Compound ID | 8ehb17tUdon |
|---|---|
| InChI | InChI=1S/C75H112O36/c1-31-53(105-44(82)14-11-33-21-39(96-8)56(98-10)40(22-33)97-9)50(88)58(109-64-52(90)57(108-66-59(91)75(95,29-78)30-101-66)54(32(2)102-64)106-62-51(89)55(38(81)27-100-62)107-61-48(86)45(83)37(80)26-99-61)65(103-31)111-68(94)73-18-17-69(3,4)23-35(73)34-12-13-42-70(5)24-36(79)60(110-63-49(87)47(85)46(84)41(25-76)104-63)72(7,67(92)93)43(70)15-16-71(42,6)74(34,28-77)20-19-73/h11-12,14,21-22,31-32,35-38,41-43,45-55,57-66,76-81,83-91,95H,13,15-20,23-30H2,1-10H3,(H,92,93)/b14-11+/t31-,32+,35+,36+,37+,38-,41-,42-,43-,45+,46-,47+,48-,49-,50+,51-,52-,53+,54+,55+,57+,58-,59+,60+,61+,62+,63+,64+,65+,66+,70-,71-,72+,73+,74+,75-/m1/s1 |
| InChIKey | HDLNHPZHTNFCNP-JJEFWQELSA-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 | KZh0ustuBWy |
|---|---|
| Name | #4;POLYGALASAPONIN-XXXI;3-O-BETA-D-GLUCOPYRANOSYL-PRESENEGENIN-28-O-ALPHA-L-ARABINOPYRANOSYL-(1->4)-BETA-D-XYLOPYRANOSYL-(1->4)-[BETA-D-APIOFURANOSYL-(1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C75H112O36 |
| InChI | InChI=1S/C75H112O36/c1-31-53(105-44(82)14-11-33-21-39(96-8)56(98-10)40(22-33)97-9)50(88)58(109-64-52(90)57(108-66-59(91)75(95,29-78)30-101-66)54(32(2)102-64)106-62-51(89)55(38(81)27-100-62)107-61-48(86)45(83)37(80)26-99-61)65(103-31)111-68(94)73-18-17-69(3,4)23-35(73)34-12-13-42-70(5)24-36(79)60(110-63-49(87)47(85)46(84)41(25-76)104-63)72(7,67(92)93)43(70)15-16-71(42,6)74(34,28-77)20-19-73/h11-12,14,21-22,31-32,35-38,41-43,45-55,57-66,76-81,83-91,95H,13,15-20,23-30H2,1-10H3,(H,92,93)/b14-11+/t31-,32+,35+,36+,37+,38-,41-,42-,43-,45+,46-,47+,48-,49-,50+,51-,52-,53+,54+,55+,57+,58-,59+,60+,61+,62+,63+,64+,65+,66+,70-,71-,72+,73+,74+,75-/m1/s1 |
| InChIKey | HDLNHPZHTNFCNP-JJEFWQELSA-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 | UWLU31366 |