![#1;AGAPANTHUSSAPONIN-A;(25R)-5-ALPHA-SPIROSTANE-2-ALPHA,3-BETA,5-ALPHA-TRIOL-3-O-[O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-O-[BETA-D-GALACTOPYRANOSYL-(1->3)]-BETA-D-GL](/api/spectrum/FPCki7nzXKE/structure.png?h=300&w=458 "#1;AGAPANTHUSSAPONIN-A;(25R)-5-ALPHA-SPIROSTANE-2-ALPHA,3-BETA,5-ALPHA-TRIOL-3-O-[O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-O-[BETA-D-GALACTOPYRANOSYL-(1->3)]-BETA-D-GL")
| SpectraBase Compound ID | 3seixLLbiyG |
|---|---|
| InChI | InChI=1S/C45H74O19/c1-18-6-11-45(57-17-18)19(2)29-25(64-45)12-23-21-7-10-44(56)14-26(24(48)13-43(44,5)22(21)8-9-42(23,29)4)59-41-38(63-39-35(54)33(52)30(49)20(3)58-39)37(32(51)28(16-47)61-41)62-40-36(55)34(53)31(50)27(15-46)60-40/h18-41,46-56H,6-17H2,1-5H3/t18-,19+,20-,21-,22+,23+,24-,25+,26-,27+,28+,29+,30-,31-,32+,33+,34-,35+,36+,37-,38+,39-,40-,41+,42+,43-,44-,45+/m1/s1 |
| InChIKey | FIAXHZVAWZFXEX-KAHJQKRCSA-N |
| Mol Weight | 919.1 g/mol |
| Molecular Formula | C45H74O19 |
| Exact Mass | 918.48243 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FPCki7nzXKE |
|---|---|
| Name | #1;AGAPANTHUSSAPONIN-A;(25R)-5-ALPHA-SPIROSTANE-2-ALPHA,3-BETA,5-ALPHA-TRIOL-3-O-[O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-O-[BETA-D-GALACTOPYRANOSYL-(1->3)]-BETA-D-GL |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H74O19 |
| InChI | InChI=1S/C45H74O19/c1-18-6-11-45(57-17-18)19(2)29-25(64-45)12-23-21-7-10-44(56)14-26(24(48)13-43(44,5)22(21)8-9-42(23,29)4)59-41-38(63-39-35(54)33(52)30(49)20(3)58-39)37(32(51)28(16-47)61-41)62-40-36(55)34(53)31(50)27(15-46)60-40/h18-41,46-56H,6-17H2,1-5H3/t18-,19+,20-,21-,22+,23+,24-,25+,26-,27+,28+,29+,30-,31-,32+,33+,34-,35+,36+,37-,38+,39-,40-,41+,42+,43-,44-,45+/m1/s1 |
| InChIKey | FIAXHZVAWZFXEX-KAHJQKRCSA-N |
| Literature Reference Author | O.NAKAMURA,Y.MIMAKI,Y.SASHIDA,T.NIKAIDO,T.OHMOTO |
| Literature Reference Citation | CHEM.PHARM.BULL.,41,1748(1993) |
| Literature Reference DOI | 10.1248/cpb.41.1748 |
| Molecular Weight | 919.071 g/mol |
| Sample ID | 37674 |
| Solvent | C5D5N |