| SpectraBase Compound ID | 8kkoGSnD5d1 |
|---|---|
| InChI | InChI=1S/C49H78O22/c1-19(15-63-45-41(61)37(57)36(56)31(14-50)69-45)5-6-29-20(2)33-30(68-29)13-24-22-12-26(51)25-11-21(7-9-48(25,3)23(22)8-10-49(24,33)4)67-47-42(62)38(58)43(71-46-40(60)35(55)28(53)17-65-46)32(70-47)18-66-44-39(59)34(54)27(52)16-64-44/h19,21-25,27-28,30-47,50,52-62H,5-18H2,1-4H3/t19-,21-,22?,23?,24?,25+,27-,28-,30-,31+,32+,33-,34-,35+,36+,37-,38+,39+,40-,41+,42+,43+,44-,45+,46+,47+,48+,49-/m0/s1 |
| InChIKey | ALMJXWPCHVBUTP-RUAXORPISA-N |
| Mol Weight | 1019.1 g/mol |
| Molecular Formula | C49H78O22 |
| Exact Mass | 1018.498474 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6l4WtROF3jd |
|---|---|
| Name | CHINENOSIDE-II;#1;26-O-BETA-D-GLUCOPYRANOSYL-3-BETA,26-DIHYDROXY-(25R)-5-ALPHA-FUROST-20(22)-EN-6-ONE-3-O-BETA-XYLOPYRANOSYL-(1->4)-[ALPHA-ARABINOPYRANOSYL-(1- |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C49H78O22 |
| InChI | InChI=1S/C49H78O22/c1-19(15-63-45-41(61)37(57)36(56)31(14-50)69-45)5-6-29-20(2)33-30(68-29)13-24-22-12-26(51)25-11-21(7-9-48(25,3)23(22)8-10-49(24,33)4)67-47-42(62)38(58)43(71-46-40(60)35(55)28(53)17-65-46)32(70-47)18-66-44-39(59)34(54)27(52)16-64-44/h19,21-25,27-28,30-47,50,52-62H,5-18H2,1-4H3/t19-,21-,22?,23?,24?,25+,27-,28-,30-,31+,32+,33-,34-,35+,36+,37-,38+,39+,40-,41+,42+,43+,44-,45+,46+,47+,48+,49-/m0/s1 |
| InChIKey | ALMJXWPCHVBUTP-RUAXORPISA-N |
| Literature Reference Author | J.P.PENG,X.S.YAO,Y.TEZUKA,T.KIKUCHI |
| Literature Reference Citation | PHYTOCHEM.,41,283(1996) |
| Literature Reference DOI | 10.1016/0031-9422(95)00553-6 |
| Molecular Weight | 1019.145 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU3881 |