| SpectraBase Compound ID | 9YJ7EHyrkE9 |
|---|---|
| InChI | InChI=1S/C36H56O9/c1-19-9-14-36(31(43)45-30-29(42)28(41)27(40)22(17-37)44-30)16-15-34(5)21(26(36)20(19)2)7-8-24-32(3)12-11-25(39)33(4,18-38)23(32)10-13-35(24,34)6/h7,19,22-25,27-30,37-42H,8-18H2,1-6H3/t19-,22-,23-,24-,25+,27-,28+,29-,30+,32+,33+,34-,35-,36+/m1/s1 |
| InChIKey | ZMOGQUZDNDWVKU-KSYMCXMQSA-N |
| Mol Weight | 632.8 g/mol |
| Molecular Formula | C36H56O9 |
| Exact Mass | 632.392433 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3xXjjRt3V1F |
|---|---|
| Name | 3-BETA,23-DIHYDROXY-URSA-12,18(19)-DIEN-28-OIC-ACID-28-BETA-D-GLUCOPYRANOSYLESTER |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H56O9 |
| InChI | InChI=1S/C36H56O9/c1-19-9-14-36(31(43)45-30-29(42)28(41)27(40)22(17-37)44-30)16-15-34(5)21(26(36)20(19)2)7-8-24-32(3)12-11-25(39)33(4,18-38)23(32)10-13-35(24,34)6/h7,19,22-25,27-30,37-42H,8-18H2,1-6H3/t19-,22-,23-,24-,25+,27-,28+,29-,30+,32+,33+,34-,35-,36+/m1/s1 |
| InChIKey | ZMOGQUZDNDWVKU-KSYMCXMQSA-N |
| Literature Reference Author | Z.J.WU,M.A.OUYANG,C.Z.WANG,Z.K.ZHANG |
| Literature Reference Citation | CHEM.PHARM.BULL.,55,422(2007) |
| Literature Reference DOI | 10.1248/cpb.55.422 |
| Molecular Weight | 632.835 g/mol |
| Sample ID | 55459 |
| Solvent | CD3OD |