| SpectraBase Compound ID | 9BkgkCpdtOE |
|---|---|
| InChI | InChI=1S/C41H66O14/c1-20-9-14-41(35(49)50)16-15-38(4)21(32(41)40(20,6)51)7-8-25-36(2)12-11-26(37(3,19-43)24(36)10-13-39(25,38)5)54-33-30(48)31(22(44)18-52-33)55-34-29(47)28(46)27(45)23(17-42)53-34/h7,20,22-34,42-48,51H,8-19H2,1-6H3,(H,49,50)/t20-,22+,23-,24?,25?,26+,27-,28+,29-,30-,31+,32?,33+,34+,36+,37+,38-,39-,40-,41+/m1/s1 |
| InChIKey | MJDOOZONFGAIJA-NVLKBVMYSA-N |
| Mol Weight | 783.0 g/mol |
| Molecular Formula | C41H66O14 |
| Exact Mass | 782.445257 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9tpZC5Tq5aW |
|---|---|
| Name | RANDIASAPONIN-II;3-O-BETA-D-GLUCOPYRANOSYL-(1->3)-ALPHA-L-ARABINOPYRANOSYL-ROTUNDIC-ACID |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H66O14 |
| InChI | InChI=1S/C41H66O14/c1-20-9-14-41(35(49)50)16-15-38(4)21(32(41)40(20,6)51)7-8-25-36(2)12-11-26(37(3,19-43)24(36)10-13-39(25,38)5)54-33-30(48)31(22(44)18-52-33)55-34-29(47)28(46)27(45)23(17-42)53-34/h7,20,22-34,42-48,51H,8-19H2,1-6H3,(H,49,50)/t20-,22+,23-,24?,25?,26+,27-,28+,29-,30-,31+,32?,33+,34+,36+,37+,38-,39-,40-,41+/m1/s1 |
| InChIKey | MJDOOZONFGAIJA-NVLKBVMYSA-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 | 782.967 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU1222 |