| SpectraBase Compound ID | 4FcStcO7W4s |
|---|---|
| InChI | InChI=1S/C54H88O23/c1-21(2)23-9-14-54(49(69)77-48-41(67)37(63)34(60)28(74-48)20-70-45-42(68)38(64)43(27(19-56)73-45)76-46-39(65)35(61)32(58)22(3)71-46)16-15-52(7)24(31(23)54)17-25(57)44-51(6)12-11-30(50(4,5)29(51)10-13-53(44,52)8)75-47-40(66)36(62)33(59)26(18-55)72-47/h22-48,55-68H,1,9-20H2,2-8H3/t22-,23+,24?,25-,26-,27-,28-,29+,30-,31-,32-,33-,34-,35+,36+,37+,38-,39+,40-,41-,42-,43-,44-,45-,46-,47+,48+,51+,52-,53-,54+/m1/s1 |
| InChIKey | JVOIMQGIODZVSL-HAECNHGNSA-N |
| Mol Weight | 1105.3 g/mol |
| Molecular Formula | C54H88O23 |
| Exact Mass | 1104.571639 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LHYNpgdsxuH |
|---|---|
| Name | ACANKOREOSIDE-C;3-O-BETA-D-GLUCOPYRANOSYL-3-ALPHA,11-ALPHA-DIHYDROXYLUP-20(29)-EN-28-OIC-ACID-28-O-ALPHA-L-RHAMNOPYRANOSYL-(1->4)-BETA-D-GLUCOPYRAN |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H88O23 |
| InChI | InChI=1S/C54H88O23/c1-21(2)23-9-14-54(49(69)77-48-41(67)37(63)34(60)28(74-48)20-70-45-42(68)38(64)43(27(19-56)73-45)76-46-39(65)35(61)32(58)22(3)71-46)16-15-52(7)24(31(23)54)17-25(57)44-51(6)12-11-30(50(4,5)29(51)10-13-53(44,52)8)75-47-40(66)36(62)33(59)26(18-55)72-47/h22-48,55-68H,1,9-20H2,2-8H3/t22-,23+,24?,25-,26-,27-,28-,29+,30-,31-,32-,33-,34-,35+,36+,37+,38-,39+,40-,41-,42-,43-,44-,45-,46-,47+,48+,51+,52-,53-,54+/m1/s1 |
| InChIKey | JVOIMQGIODZVSL-HAECNHGNSA-N |
| Literature Reference Author | S.Y.CHANG,C.S.YOOK,T.NOHARA |
| Literature Reference Citation | PHYTOCHEM.,50,1369(1999) |
| Literature Reference DOI | 10.1016/S0031-9422(98)00402-6 |
| Molecular Weight | 1105.279 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN1628 |