![RUSCOGENIN-1-O-[O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-3,4,6-TRI-O-ACETYL-BETA-D-GALACTOPYRANOSIDE];(25R)-SPIROST-5-ENE-1-BETA,3-BETA-DIOL-1-O-[O-ALPHA-L](/api/spectrum/BTgOwpTrp5t/structure.png?h=300&w=458 "RUSCOGENIN-1-O-[O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-3,4,6-TRI-O-ACETYL-BETA-D-GALACTOPYRANOSIDE];(25R)-SPIROST-5-ENE-1-BETA,3-BETA-DIOL-1-O-[O-ALPHA-L")
| SpectraBase Compound ID | 9lkWvc3aRnd |
|---|---|
| InChI | InChI=1S/C45H68O16/c1-20-11-14-45(54-18-20)21(2)34-31(61-45)17-30-28-10-9-26-15-27(49)16-33(44(26,8)29(28)12-13-43(30,34)7)59-42-40(60-41-37(52)36(51)35(50)22(3)55-41)39(57-25(6)48)38(56-24(5)47)32(58-42)19-53-23(4)46/h9,20-22,27-42,49-52H,10-19H2,1-8H3/t20-,21-,22+,27+,28?,29?,30?,31?,32-,33+,34?,35+,36-,37-,38+,39+,40-,41+,42+,43-,44-,45+/m0/s1 |
| InChIKey | KYEPMUXDDWZMLX-BOFYQIETSA-N |
| Mol Weight | 865.0 g/mol |
| Molecular Formula | C45H68O16 |
| Exact Mass | 864.450736 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BTgOwpTrp5t |
|---|---|
| Name | RUSCOGENIN-1-O-[O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-3,4,6-TRI-O-ACETYL-BETA-D-GALACTOPYRANOSIDE];(25R)-SPIROST-5-ENE-1-BETA,3-BETA-DIOL-1-O-[O-ALPHA-L |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H68O16 |
| InChI | InChI=1S/C45H68O16/c1-20-11-14-45(54-18-20)21(2)34-31(61-45)17-30-28-10-9-26-15-27(49)16-33(44(26,8)29(28)12-13-43(30,34)7)59-42-40(60-41-37(52)36(51)35(50)22(3)55-41)39(57-25(6)48)38(56-24(5)47)32(58-42)19-53-23(4)46/h9,20-22,27-42,49-52H,10-19H2,1-8H3/t20-,21-,22+,27+,28?,29?,30?,31?,32-,33+,34?,35+,36-,37-,38+,39+,40-,41+,42+,43-,44-,45+/m0/s1 |
| InChIKey | KYEPMUXDDWZMLX-BOFYQIETSA-N |
| Literature Reference Author | Y.MIMAKI,M.KURODA,A.KAMEYAMA,A.YOKOSUKA,Y.SASHIDA |
| Literature Reference Citation | PHYTOCHEM.,48,485(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(98)00036-3 |
| Molecular Weight | 865.025 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS1037 |