| SpectraBase Compound ID | K3l2LP5CXKE |
|---|---|
| InChI | InChI=1S/C28H44O7/c1-7-16(2)24(31)34-17(3)27(32)12-13-28(33)21-9-8-19-14-20(30)10-11-25(19,5)22(21)15-23(26(27,28)6)35-18(4)29/h7,17,19-23,30,32-33H,8-15H2,1-6H3/b16-7+/t17-,19+,20+,21-,22+,23-,25+,26-,27-,28+/m1/s1 |
| InChIKey | MPYAKGPFCKGVLY-RACMLYFUSA-N |
| Mol Weight | 492.7 g/mol |
| Molecular Formula | C28H44O7 |
| Exact Mass | 492.308704 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7SFLmMTtf6x |
|---|---|
| Name | ISOTOMENTOSIN |
| Compound Number | A2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H44O7 |
| InChI | InChI=1S/C28H44O7/c1-7-16(2)24(31)34-17(3)27(32)12-13-28(33)21-9-8-19-14-20(30)10-11-25(19,5)22(21)15-23(26(27,28)6)35-18(4)29/h7,17,19-23,30,32-33H,8-15H2,1-6H3/b16-7+/t17-,19+,20+,21-,22+,23-,25+,26-,27-,28+/m1/s1 |
| InChIKey | MPYAKGPFCKGVLY-RACMLYFUSA-N |
| Literature Reference Author | F.ABE,H.OKABE,T.YAMAUCHI,K.HONDA,N.HAYASHI |
| Literature Reference Citation | CHEM.PHARM.BULL.,47,869(1999) |
| Literature Reference DOI | 10.1248/cpb.47.869 |
| Molecular Weight | 492.653 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU8080 |