| SpectraBase Compound ID | LefifXROngk |
|---|---|
| InChI | InChI=1S/C36H58O11/c1-31(2)9-11-36(30(45)47-29-27(43)26(42)25(41)21(16-37)46-29)12-10-34(5)18(19(36)14-31)7-8-22-32(3)15-20(39)28(44)33(4,17-38)23(32)13-24(40)35(22,34)6/h7,19-29,37-44H,8-17H2,1-6H3/t19-,20+,21+,22+,23+,24+,25+,26-,27+,28-,29-,32?,33-,34?,35?,36-/m0/s1 |
| InChIKey | RTSHLRNZEWXRQI-NGJFHVCLSA-N |
| Mol Weight | 666.8 g/mol |
| Molecular Formula | C36H58O11 |
| Exact Mass | 666.397913 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B3VVV94MxlQ |
|---|---|
| Name | BELLERICASIDE-A;2-ALPHA,3-BETA,7-ALPHA,23-TETRAHYDROXY-OLEAN-12-EN-28-OIC-ACID-(28->1)-BETA-D-GLUCOPYRANOSYLESTER |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H58O11 |
| InChI | InChI=1S/C36H58O11/c1-31(2)9-11-36(30(45)47-29-27(43)26(42)25(41)21(16-37)46-29)12-10-34(5)18(19(36)14-31)7-8-22-32(3)15-20(39)28(44)33(4,17-38)23(32)13-24(40)35(22,34)6/h7,19-29,37-44H,8-17H2,1-6H3/t19-,20+,21+,22+,23+,24+,25+,26-,27+,28-,29-,32?,33-,34?,35?,36-/m0/s1 |
| InChIKey | RTSHLRNZEWXRQI-NGJFHVCLSA-N |
| Literature Reference Author | Y.L.Z.ZUCARO,R.S.COMPAGNONE,S.C.HESS,F.D.MONACHE |
| Literature Reference Citation | J.BRAZ.CHEM.SOC.,11,241(2000) |
| Literature Reference DOI | 10.1590/s0103-50532000000300007 |
| Molecular Weight | 666.850 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS5659 |