| SpectraBase Compound ID | CaN0kxFIqxx |
|---|---|
| InChI | InChI=1S/C30H46O5/c1-25(17-31)12-14-30(24(34)35)15-13-28(4)19(20(30)16-25)6-7-22-26(2)10-9-23(33)27(3,18-32)21(26)8-11-29(22,28)5/h6,18,20-23,31,33H,7-17H2,1-5H3,(H,34,35)/t20-,21+,22+,23+,25+,26-,27-,28+,29+,30-/m0/s1 |
| InChIKey | KGXZYNGIOXTPCP-ZHKIIRHASA-N |
| Mol Weight | 486.7 g/mol |
| Molecular Formula | C30H46O5 |
| Exact Mass | 486.334525 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6ZYxXtfmPyy |
|---|---|
| Name | SPINOGENIN-C2;3-ALPHA,30-DIHYDROXY-23-OXO-OLEAN-12-EN-28-OIC-ACID |
| Compound Number | 2A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H46O5 |
| InChI | InChI=1S/C30H46O5/c1-25(17-31)12-14-30(24(34)35)15-13-28(4)19(20(30)16-25)6-7-22-26(2)10-9-23(33)27(3,18-32)21(26)8-11-29(22,28)5/h6,18,20-23,31,33H,7-17H2,1-5H3,(H,34,35)/t20-,21+,22+,23+,25+,26-,27-,28+,29+,30-/m0/s1 |
| InChIKey | KGXZYNGIOXTPCP-ZHKIIRHASA-N |
| Literature Reference Author | M.MIYAKOSHI,S.ISODA,H.SATO,Y.HIRAI,J.SHOJI,Y.IDA |
| Literature Reference Citation | PHYTOCHEM.,46,1255(1997) |
| Literature Reference DOI | 10.1016/s0031-9422(97)80022-2 |
| Molecular Weight | 486.692 g/mol |
| Sample ID | 52614 |
| Solvent | C5D5N |