![ABRUS-SAPONIN-I;3-O-[BETA-D-GLUCOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSYL]-HEDERAGENIN](/api/spectrum/DBnLlUOFiNT/structure.png?h=300&w=458 "ABRUS-SAPONIN-I;3-O-[BETA-D-GLUCOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSYL]-HEDERAGENIN")
| SpectraBase Compound ID | EMsl4LdW7se |
|---|---|
| InChI | InChI=1S/C42H66O15/c1-37(2)13-15-42(36(52)53)16-14-40(5)20(21(42)17-37)7-8-24-38(3)11-10-25(39(4,19-44)23(38)9-12-41(24,40)6)55-35-32(28(47)26(45)22(18-43)54-35)57-34-30(49)27(46)29(48)31(56-34)33(50)51/h7,21-32,34-35,43-49H,8-19H2,1-6H3,(H,50,51)(H,52,53)/t21-,22+,23+,24+,25-,26+,27-,28-,29-,30+,31-,32+,34-,35-,38-,39-,40+,41+,42-/m0/s1 |
| InChIKey | PJFATUBUMGTAKR-GNBMQSOPSA-N |
| Mol Weight | 811.0 g/mol |
| Molecular Formula | C42H66O15 |
| Exact Mass | 810.440171 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | DBnLlUOFiNT |
|---|---|
| Name | ABRUS-SAPONIN-I;3-O-[BETA-D-GLUCOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSYL]-HEDERAGENIN |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H66O15 |
| InChI | InChI=1S/C42H66O15/c1-37(2)13-15-42(36(52)53)16-14-40(5)20(21(42)17-37)7-8-24-38(3)11-10-25(39(4,19-44)23(38)9-12-41(24,40)6)55-35-32(28(47)26(45)22(18-43)54-35)57-34-30(49)27(46)29(48)31(56-34)33(50)51/h7,21-32,34-35,43-49H,8-19H2,1-6H3,(H,50,51)(H,52,53)/t21-,22+,23+,24+,25-,26+,27-,28-,29-,30+,31-,32+,34-,35-,38-,39-,40+,41+,42-/m0/s1 |
| InChIKey | PJFATUBUMGTAKR-GNBMQSOPSA-N |
| Literature Reference Author | C.M.MA,N.NAKAMURA,M.HATTORI |
| Literature Reference Citation | CHEM.PHARM.BULL.,46,982(1998) |
| Literature Reference DOI | 10.1248/cpb.46.982 |
| Molecular Weight | 810.977 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS6479 |