| SpectraBase Compound ID | BeM22RTRWXv |
|---|---|
| InChI | InChI=1S/C50H78O21/c1-21(18-51)24-10-15-50(17-16-47(5)25(31(24)50)8-9-28-46(4)13-12-30(67-23(3)53)49(7,44(62)63)29(46)11-14-48(28,47)6)45(64)71-43-38(60)35(57)33(55)27(69-43)20-65-41-39(61)36(58)40(26(19-52)68-41)70-42-37(59)34(56)32(54)22(2)66-42/h22,24-43,51-52,54-61H,1,8-20H2,2-7H3,(H,62,63)/t22-,24+,25-,26-,27-,28-,29-,30-,31-,32-,33-,34+,35+,36-,37+,38-,39-,40-,41-,42-,43+,46-,47-,48-,49+,50+/m1/s1 |
| InChIKey | VMUGZJFPIUEICT-RLBOLRRJSA-N |
| Mol Weight | 1015.2 g/mol |
| Molecular Formula | C50H78O21 |
| Exact Mass | 1014.50356 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FjdW98VlSQD |
|---|---|
| Name | ACANTRIFOSIDE-C;3-ALPHA-ACETOXY-30-HYDROXY-LUP-20(29)-ENE-23,28-DIOIC-ACID-28-O-ALPHA-L-RHAMNOPYRANOSYL-(1->4)-BETA-D-GLUCOPYRANOSYL-(1->6)-BETA-D- |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H78O21 |
| InChI | InChI=1S/C50H78O21/c1-21(18-51)24-10-15-50(17-16-47(5)25(31(24)50)8-9-28-46(4)13-12-30(67-23(3)53)49(7,44(62)63)29(46)11-14-48(28,47)6)45(64)71-43-38(60)35(57)33(55)27(69-43)20-65-41-39(61)36(58)40(26(19-52)68-41)70-42-37(59)34(56)32(54)22(2)66-42/h22,24-43,51-52,54-61H,1,8-20H2,2-7H3,(H,62,63)/t22-,24+,25-,26-,27-,28-,29-,30-,31-,32-,33-,34+,35+,36-,37+,38-,39-,40-,41-,42-,43+,46-,47-,48-,49+,50+/m1/s1 |
| InChIKey | VMUGZJFPIUEICT-RLBOLRRJSA-N |
| Literature Reference Author | P.V.KIEM,X.F.CAI,C.V.MINH,J.J.LEE,Y.H.KIM |
| Literature Reference Citation | CHEM.PHARM.BULL.,51,1432(2003) |
| Literature Reference DOI | 10.1248/cpb.51.1432 |
| Molecular Weight | 1015.157 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU20559 |