| SpectraBase Compound ID | 5WHQOA68UJa |
|---|---|
| InChI | InChI=1S/C41H66O13/c1-36(2)13-15-41(35(49)50)16-14-39(5)21(22(41)17-36)7-8-26-37(3)11-10-27(38(4,20-43)25(37)9-12-40(26,39)6)53-34-32(28(45)23(44)19-51-34)54-33-31(48)30(47)29(46)24(18-42)52-33/h7,22-34,42-48H,8-20H2,1-6H3,(H,49,50)/t22-,23-,24+,25?,26?,27-,28-,29+,30-,31+,32+,33-,34-,37-,38-,39+,40+,41-/m0/s1 |
| InChIKey | RROGHRHLBLVQSG-FBTWDWMFSA-N |
| Mol Weight | 767.0 g/mol |
| Molecular Formula | C41H66O13 |
| Exact Mass | 766.450342 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8URR3fdqsao |
|---|---|
| Name | PF-(SEED-SAPONIN-C);3-0-BETA-D-GLUCOPYRANOSYL-(1''-4')-ALPHA-L-ARABINOPYRANOSYLHEDERAGENIN |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H66O13 |
| InChI | InChI=1S/C41H66O13/c1-36(2)13-15-41(35(49)50)16-14-39(5)21(22(41)17-36)7-8-26-37(3)11-10-27(38(4,20-43)25(37)9-12-40(26,39)6)53-34-32(28(45)23(44)19-51-34)54-33-31(48)30(47)29(46)24(18-42)52-33/h7,22-34,42-48H,8-20H2,1-6H3,(H,49,50)/t22-,23-,24+,25?,26?,27-,28-,29+,30-,31+,32+,33-,34-,37-,38-,39+,40+,41-/m0/s1 |
| InChIKey | RROGHRHLBLVQSG-FBTWDWMFSA-N |
| Literature Reference Author | B.S.JOSHI,K.M.MOORE,S.W.PELLETIER,M.S.PUAR,B.N.PRAMANIK |
| Literature Reference Citation | J.NAT.PROD.,55,1468(1992) |
| Literature Reference DOI | 10.1021/np50088a013 |
| Molecular Weight | 766.967 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWCS5631 |