![#4;AGAPANTHUSSAPONIN-D;(25R)-5-ALPHA-SPIROSTANE-2-ALPHA,3-BETA,5-ALPHA,9-ALPHA-TETROL-3-O-[O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-O-[BETA-D-GALACTOPYRANOSYL-(1->3)]-](/api/spectrum/5stD2opWSrN/structure.png?h=300&w=458 "#4;AGAPANTHUSSAPONIN-D;(25R)-5-ALPHA-SPIROSTANE-2-ALPHA,3-BETA,5-ALPHA,9-ALPHA-TETROL-3-O-[O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-O-[BETA-D-GALACTOPYRANOSYL-(1->3)]-")
| SpectraBase Compound ID | 3QmKKaCeQPz |
|---|---|
| InChI | InChI=1S/C45H74O20/c1-18-6-9-45(58-17-18)19(2)28-24(65-45)12-22-21-7-8-43(56)14-25(23(48)13-42(43,5)44(21,57)11-10-41(22,28)4)60-40-37(64-38-34(54)32(52)29(49)20(3)59-38)36(31(51)27(16-47)62-40)63-39-35(55)33(53)30(50)26(15-46)61-39/h18-40,46-57H,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 | PRHHHZNFKWHKPA-MWUUGUHZSA-N |
| Mol Weight | 935.1 g/mol |
| Molecular Formula | C45H74O20 |
| Exact Mass | 934.477345 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5stD2opWSrN |
|---|---|
| Name | #4;AGAPANTHUSSAPONIN-D;(25R)-5-ALPHA-SPIROSTANE-2-ALPHA,3-BETA,5-ALPHA,9-ALPHA-TETROL-3-O-[O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-O-[BETA-D-GALACTOPYRANOSYL-(1->3)]- |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H74O20 |
| InChI | InChI=1S/C45H74O20/c1-18-6-9-45(58-17-18)19(2)28-24(65-45)12-22-21-7-8-43(56)14-25(23(48)13-42(43,5)44(21,57)11-10-41(22,28)4)60-40-37(64-38-34(54)32(52)29(49)20(3)59-38)36(31(51)27(16-47)62-40)63-39-35(55)33(53)30(50)26(15-46)61-39/h18-40,46-57H,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 | PRHHHZNFKWHKPA-MWUUGUHZSA-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 | 935.071 g/mol |
| Sample ID | 37682 |
| Solvent | C5D5N |