| SpectraBase Compound ID | C8sINAZiX7h |
|---|---|
| InChI | InChI=1S/C35H56O8/c1-30(2)13-15-35(29(40)41)16-14-33(5)20(21(35)17-30)7-8-24-31(3)11-10-25-32(4,23(31)9-12-34(24,33)6)19-42-28(43-25)27(39)26(38)22(37)18-36/h7,21-28,36-39H,8-19H2,1-6H3,(H,40,41)/t21-,22+,23+,24+,25-,26+,27-,28+,31-,32+,33+,34+,35-/m0/s1 |
| InChIKey | BNVLHGOLESMDEY-HXHFVIKOSA-N |
| Mol Weight | 604.8 g/mol |
| Molecular Formula | C35H56O8 |
| Exact Mass | 604.397519 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Dp0vgN2Q61X |
|---|---|
| Name | ANEMOClEMOSIDE_A;(1-R)-L-ARABINOSE_HEDERAGENIN_1'.3:1'.23-ACETYL;3,23-O-(2-R),(3-S),(4-S)-5-TETRAHYDROXYPENTYLIDENE-OLEAN-12-EN-28-OIC_ACID |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H56O8 |
| InChI | InChI=1S/C35H56O8/c1-30(2)13-15-35(29(40)41)16-14-33(5)20(21(35)17-30)7-8-24-31(3)11-10-25-32(4,23(31)9-12-34(24,33)6)19-42-28(43-25)27(39)26(38)22(37)18-36/h7,21-28,36-39H,8-19H2,1-6H3,(H,40,41)/t21-,22+,23+,24+,25-,26+,27-,28+,31-,32+,33+,34+,35-/m0/s1 |
| InChIKey | BNVLHGOLESMDEY-HXHFVIKOSA-N |
| Literature Reference Author | X.C.LI,C.R.YANG,Y.Q.LIU,R.KASAI,K.OHTANI,K.YAMASAKI,K.MIYAHA RA,K.SHINGU |
| Literature Reference Citation | PHYTOCHEM.,39,1175(1995) |
| Literature Reference DOI | 10.1016/0031-9422(95)00107-I |
| Molecular Weight | 604.825 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ9045 |