![#14;SAPONIN-9;3-O-[BETA-D-XYLOPYRANOSYL-(1->2)-[BETA-D-XYLOPYRANOSYL-(1->3)]-BETA-D-GLUCOPYRANOSYL-(1->4)-[ALPHA-L-RHAMNOPYRANOSYL-(1->2)]-BETA-D-GALACTOPYRANO](/api/spectrum/zxOtcfiZb0/structure.png?h=300&w=458 "#14;SAPONIN-9;3-O-[BETA-D-XYLOPYRANOSYL-(1->2)-[BETA-D-XYLOPYRANOSYL-(1->3)]-BETA-D-GLUCOPYRANOSYL-(1->4)-[ALPHA-L-RHAMNOPYRANOSYL-(1->2)]-BETA-D-GALACTOPYRANO")
| SpectraBase Compound ID | 16BncQoeoS3 |
|---|---|
| InChI | InChI=1S/C62H104O31/c1-23(20-81-54-47(77)44(74)41(71)34(17-63)86-54)9-14-62(80-6)24(2)37-33(93-62)16-30-28-8-7-26-15-27(10-12-60(26,4)29(28)11-13-61(30,37)5)85-58-52(91-57-48(78)43(73)38(68)25(3)84-57)49(79)50(36(19-65)88-58)89-59-53(92-56-46(76)40(70)32(67)22-83-56)51(42(72)35(18-64)87-59)90-55-45(75)39(69)31(66)21-82-55/h23-59,63-79H,7-22H2,1-6H3/t23-,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+,52-,53-,54+,55+,56+,57+,58-,59+,60+,61+,62?/m1/s1 |
| InChIKey | YHVNCBGBSMUHPF-LMEMYQJCSA-N |
| Mol Weight | 1345.5 g/mol |
| Molecular Formula | C62H104O31 |
| Exact Mass | 1344.656157 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | zxOtcfiZb0 |
|---|---|
| Name | #14;SAPONIN-9;3-O-[BETA-D-XYLOPYRANOSYL-(1->2)-[BETA-D-XYLOPYRANOSYL-(1->3)]-BETA-D-GLUCOPYRANOSYL-(1->4)-[ALPHA-L-RHAMNOPYRANOSYL-(1->2)]-BETA-D-GALACTOPYRANO |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C62H104O31 |
| InChI | InChI=1S/C62H104O31/c1-23(20-81-54-47(77)44(74)41(71)34(17-63)86-54)9-14-62(80-6)24(2)37-33(93-62)16-30-28-8-7-26-15-27(10-12-60(26,4)29(28)11-13-61(30,37)5)85-58-52(91-57-48(78)43(73)38(68)25(3)84-57)49(79)50(36(19-65)88-58)89-59-53(92-56-46(76)40(70)32(67)22-83-56)51(42(72)35(18-64)87-59)90-55-45(75)39(69)31(66)21-82-55/h23-59,63-79H,7-22H2,1-6H3/t23-,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+,52-,53-,54+,55+,56+,57+,58-,59+,60+,61+,62?/m1/s1 |
| InChIKey | YHVNCBGBSMUHPF-LMEMYQJCSA-N |
| Literature Reference Author | H.ACHENBACH,H.HUEBNER,W.BRANDT,M.REITER |
| Literature Reference Citation | PHYTOCHEM.,35,1527(1994) |
| Literature Reference DOI | 10.1016/S0031-9422(00)86890-9 |
| Molecular Weight | 1345.489 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU25296 |