| SpectraBase Compound ID | 1Ii9eZUltvV |
|---|---|
| InChI | InChI=1S/C64H104O31/c1-22-34(70)38(74)42(78)53(86-22)90-31-20-85-52(46(82)48(31)92-54-43(79)39(75)35(71)23(2)87-54)91-47-25(4)89-55(45(81)41(47)77)93-49-37(73)30(68)19-84-57(49)95-58(83)64-14-13-59(5,6)15-27(64)26-11-12-32-60(7)16-29(67)51(94-56-44(80)40(76)36(72)24(3)88-56)61(8,21-65)50(60)28(66)17-63(32,10)62(26,9)18-33(64)69/h11,22-25,27-57,65-82H,12-21H2,1-10H3/t22-,23+,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-,60+,61-,62+,63+,64+/m0/s1 |
| InChIKey | PPKMWNBXBPILIW-JIDKPONPSA-N |
| Mol Weight | 1369.5 g/mol |
| Molecular Formula | C64H104O31 |
| Exact Mass | 1368.656157 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Iu5snfDO0OO |
|---|---|
| Name | #4;TRIDESMOSAPONIN-B;3-0-(ALPHA-L-RHAMNOPYRANOSYL)-28-0-[(ALPHA-L-RHAMNOPYRANOSYL-(1->3))-(ALPHA-L-RHAMNOPYRANOSYL-(1->4))-BETA-D-XYLOPYRANOSYL-(1->4)-ALPHA- |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C64H104O31 |
| InChI | InChI=1S/C64H104O31/c1-22-34(70)38(74)42(78)53(86-22)90-31-20-85-52(46(82)48(31)92-54-43(79)39(75)35(71)23(2)87-54)91-47-25(4)89-55(45(81)41(47)77)93-49-37(73)30(68)19-84-57(49)95-58(83)64-14-13-59(5,6)15-27(64)26-11-12-32-60(7)16-29(67)51(94-56-44(80)40(76)36(72)24(3)88-56)61(8,21-65)50(60)28(66)17-63(32,10)62(26,9)18-33(64)69/h11,22-25,27-57,65-82H,12-21H2,1-10H3/t22-,23+,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-,60+,61-,62+,63+,64+/m0/s1 |
| InChIKey | PPKMWNBXBPILIW-JIDKPONPSA-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 | 1369.511 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWKP6719 |