![#3;TRIDESMOSAPONIN-A;3-O-[BETA-D-GLUCOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSYL]-28-0-[ALPHA-L-RHAMNOPYRANOSYL-(1->3)-BETA-D-XYLOPYRANOSYL-(1->4)-(ALPHA-L-](/api/spectrum/A5d9erllfFK/structure.png?h=300&w=458 "#3;TRIDESMOSAPONIN-A;3-O-[BETA-D-GLUCOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSYL]-28-0-[ALPHA-L-RHAMNOPYRANOSYL-(1->3)-BETA-D-XYLOPYRANOSYL-(1->4)-(ALPHA-L-")
| SpectraBase Compound ID | 3waW9JKKbnY |
|---|---|
| InChI | InChI=1S/C70H114O37/c1-23-36(78)41(83)46(88)59(97-23)103-52-31(76)20-94-58(49(52)91)102-51-25(3)99-62(50(92)53(51)104-60-47(89)42(84)37(79)24(2)98-60)105-54-38(80)30(75)19-95-63(54)107-64(93)70-13-12-65(4,5)14-27(70)26-10-11-34-66(6)15-29(74)56(67(7,22-72)55(66)28(73)16-69(34,9)68(26,8)17-35(70)77)106-61-48(90)44(86)40(82)33(101-61)21-96-57-45(87)43(85)39(81)32(18-71)100-57/h10,23-25,27-63,71-92H,11-22H2,1-9H3/t23-,24+,25-,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-,63-,66+,67-,68+,69+,70+/m0/s1 |
| InChIKey | BUKPOJUFXMPKCP-SMHJYJSDSA-N |
| Mol Weight | 1547.6 g/mol |
| Molecular Formula | C70H114O37 |
| Exact Mass | 1546.703895 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A5d9erllfFK |
|---|---|
| Name | #3;TRIDESMOSAPONIN-A;3-O-[BETA-D-GLUCOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSYL]-28-0-[ALPHA-L-RHAMNOPYRANOSYL-(1->3)-BETA-D-XYLOPYRANOSYL-(1->4)-(ALPHA-L- |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C70H114O37 |
| InChI | InChI=1S/C70H114O37/c1-23-36(78)41(83)46(88)59(97-23)103-52-31(76)20-94-58(49(52)91)102-51-25(3)99-62(50(92)53(51)104-60-47(89)42(84)37(79)24(2)98-60)105-54-38(80)30(75)19-95-63(54)107-64(93)70-13-12-65(4,5)14-27(70)26-10-11-34-66(6)15-29(74)56(67(7,22-72)55(66)28(73)16-69(34,9)68(26,8)17-35(70)77)106-61-48(90)44(86)40(82)33(101-61)21-96-57-45(87)43(85)39(81)32(18-71)100-57/h10,23-25,27-63,71-92H,11-22H2,1-9H3/t23-,24+,25-,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-,63-,66+,67-,68+,69+,70+/m0/s1 |
| InChIKey | BUKPOJUFXMPKCP-SMHJYJSDSA-N |
| Literature Reference Author | G.MASSIOT,C.LAVAUD,C.DELAUDE,G.V.BINST,S.P.F.MILLER,H.M.FALE S |
| Literature Reference Citation | PHYTOCHEM.,29,3291(1990) |
| Literature Reference DOI | 10.1016/0031-9422(90)80202-R |
| Molecular Weight | 1547.653 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWKP6718 |