| SpectraBase Compound ID | HzeLU0Nn8rB |
|---|---|
| InChI | InChI=1S/C41H64O14/c1-20-9-14-41(35(50)55-34-31(49)29(47)28(46)23(17-42)53-34)16-15-38(4)21(32(41)40(20,6)51)7-8-25-36(2)12-11-26(54-33-30(48)27(45)22(44)18-52-33)37(3,19-43)24(36)10-13-39(25,38)5/h7,22-34,42-49,51H,1,8-19H2,2-6H3/t22-,23+,24?,25?,26-,27-,28+,29-,30+,31+,32?,33-,34-,36-,37-,38+,39+,40+,41-/m0/s1 |
| InChIKey | KBEMMWJMTCSHBG-CKTQUNHMSA-N |
| Mol Weight | 780.9 g/mol |
| Molecular Formula | C41H64O14 |
| Exact Mass | 780.429607 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AjYfwIgA6ms |
|---|---|
| Name | RANDIASAPONIN-I;3-O-ALPHA-L-ARABINOPYRANOSYL-3-BETA,19-ALPHA,23-TRIHYDROXY-URSA-12,20(30)-DIEN-28-OIC-ACID-28-BETA-D-GLUCOPYRANOSYLESTER |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H64O14 |
| InChI | InChI=1S/C41H64O14/c1-20-9-14-41(35(50)55-34-31(49)29(47)28(46)23(17-42)53-34)16-15-38(4)21(32(41)40(20,6)51)7-8-25-36(2)12-11-26(54-33-30(48)27(45)22(44)18-52-33)37(3,19-43)24(36)10-13-39(25,38)5/h7,22-34,42-49,51H,1,8-19H2,2-6H3/t22-,23+,24?,25?,26-,27-,28+,29-,30+,31+,32?,33-,34-,36-,37-,38+,39+,40+,41-/m0/s1 |
| InChIKey | KBEMMWJMTCSHBG-CKTQUNHMSA-N |
| Literature Reference Author | S.SAHPAZ,M.P.GUPTA,K.HOSTETTMANN |
| Literature Reference Citation | PHYTOCHEM.,54,77(2000) |
| Literature Reference DOI | 10.1016/S0031-9422(00)00034-0 |
| Molecular Weight | 780.951 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU1221 |