| SpectraBase Compound ID | IeKvfbRzRri |
|---|---|
| InChI | InChI=1S/C53H84O20/c1-11-23(2)44(66)70-32-20-48(4,5)18-26-25-12-13-29-50(8)16-15-31(71-47-40(63)41(39(62)42(73-47)43(64)65)72-46-38(61)36(59)34(57)27(21-54)69-46)49(6,7)28(50)14-17-51(29,9)52(25,10)19-30(55)53(26,32)22-67-45-37(60)35(58)33(56)24(3)68-45/h11-12,24,26-42,45-47,54-63H,13-22H2,1-10H3,(H,64,65)/b23-11+/t24-,26+,27-,28+,29-,30+,31+,32+,33-,34-,35+,36+,37+,38-,39+,40-,41+,42+,45+,46+,47-,50+,51-,52-,53+/m1/s1 |
| InChIKey | CORSEAJTRXRMNC-HPTKHLSMSA-N |
| Mol Weight | 1041.2 g/mol |
| Molecular Formula | C53H84O20 |
| Exact Mass | 1040.555595 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4YWwssYSzOZ |
|---|---|
| Name | ALTERNOSIDE-III;CHICHIPEGENIN-22-O-TIGLOYL-3-O-BETA-D-GLUCOPYRANOSYL-(1->3)-BETA-D-GLUCURONOPYRANOSYL-28-O-ALPHA-L-RHAMNOPYRANOSIDE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C53H84O20 |
| InChI | InChI=1S/C53H84O20/c1-11-23(2)44(66)70-32-20-48(4,5)18-26-25-12-13-29-50(8)16-15-31(71-47-40(63)41(39(62)42(73-47)43(64)65)72-46-38(61)36(59)34(57)27(21-54)69-46)49(6,7)28(50)14-17-51(29,9)52(25,10)19-30(55)53(26,32)22-67-45-37(60)35(58)33(56)24(3)68-45/h11-12,24,26-42,45-47,54-63H,13-22H2,1-10H3,(H,64,65)/b23-11+/t24-,26+,27-,28+,29-,30+,31+,32+,33-,34-,35+,36+,37+,38-,39+,40-,41+,42+,45+,46+,47-,50+,51-,52-,53+/m1/s1 |
| InChIKey | CORSEAJTRXRMNC-HPTKHLSMSA-N |
| Literature Reference Author | K.YOSHIKAWA,H.OGATA,S.ARIHARA,H.C.CHANG,J.D.WANG |
| Literature Reference Citation | CHEM.PHARM.BULL.,46,1102(1998) |
| Literature Reference DOI | 10.1248/cpb.46.1102 |
| Molecular Weight | 1041.238 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS6569 |