| SpectraBase Compound ID | GRk7Skfc7Bv |
|---|---|
| InChI | InChI=1S/C35H52O12/c1-31(2)11-9-15-16(13-31)17-7-8-19-32(3)14-18(36)27(47-29-24(40)22(38)23(39)25(46-29)28(42)43)34(5,30(44)45)20(32)10-12-33(19,4)35(17,6)26(41)21(15)37/h7,15-16,18-25,27,29,36-40H,8-14H2,1-6H3,(H,42,43)(H,44,45)/t15-,16+,18-,19?,20?,21+,22-,23-,24+,25-,27-,29-,32+,33+,34-,35-/m0/s1 |
| InChIKey | CGJIDBNEFGNOSK-KTTXDUCASA-N |
| Mol Weight | 664.8 g/mol |
| Molecular Formula | C35H52O12 |
| Exact Mass | 664.345877 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LyQdJGudCb4 |
|---|---|
| Name | 3-O-BETA-D-GLUCURONOPYRANOSYL-2-BETA,3-BETA,16-BETA-TRIHYDROXY-28-NOROLEAN-12-EN-15-ON-23-OIC-ACID |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H52O12 |
| InChI | InChI=1S/C35H52O12/c1-31(2)11-9-15-16(13-31)17-7-8-19-32(3)14-18(36)27(47-29-24(40)22(38)23(39)25(46-29)28(42)43)34(5,30(44)45)20(32)10-12-33(19,4)35(17,6)26(41)21(15)37/h7,15-16,18-25,27,29,36-40H,8-14H2,1-6H3,(H,42,43)(H,44,45)/t15-,16+,18-,19?,20?,21+,22-,23-,24+,25-,27-,29-,32+,33+,34-,35-/m0/s1 |
| InChIKey | CGJIDBNEFGNOSK-KTTXDUCASA-N |
| Literature Reference Author | H.DOU,Y.ZHOU,C.CHEN,S.PENG,X.LIAO,L.DING |
| Literature Reference Citation | J.NAT.PROD.,65,1777(2002) |
| Literature Reference DOI | 10.1021/np020233z |
| Molecular Weight | 664.791 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWSI16400 |