| SpectraBase Compound ID | Ehh0JBMG2PN |
|---|---|
| InChI | InChI=1S/C31H46O7/c1-16(11-18(32)12-17(2)27(37)38-8)19-13-24(36)31(7)26-20(33)14-22-28(3,4)23(35)9-10-29(22,5)25(26)21(34)15-30(19,31)6/h16-17,19,22,24-26,36H,9-15H2,1-8H3/t16?,17?,19-,22+,24+,25+,26-,29+,30-,31+/m1/s1 |
| InChIKey | ISCJOZQAUKSCCU-CFLYWJNESA-N |
| Mol Weight | 530.7 g/mol |
| Molecular Formula | C31H46O7 |
| Exact Mass | 530.324354 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IuqRFwWdDFs |
|---|---|
| Name | METHYL-8-BETA,9-ALPHA-DIHYDROGANODERATE-J |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H46O7 |
| InChI | InChI=1S/C31H46O7/c1-16(11-18(32)12-17(2)27(37)38-8)19-13-24(36)31(7)26-20(33)14-22-28(3,4)23(35)9-10-29(22,5)25(26)21(34)15-30(19,31)6/h16-17,19,22,24-26,36H,9-15H2,1-8H3/t16?,17?,19-,22+,24+,25+,26-,29+,30-,31+/m1/s1 |
| InChIKey | ISCJOZQAUKSCCU-CFLYWJNESA-N |
| Literature Reference Author | J.MA,Q.YE,Y.HUA,D.ZHANG,R.COOPER,M.N.CHANG,J.Y.CHANG,H.H.SUN |
| Literature Reference Citation | J.NAT.PROD.,65,72(2002) |
| Literature Reference DOI | 10.1021/np010385e |
| Molecular Weight | 530.702 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSI2657 |