| SpectraBase Compound ID | EoiVbCK51o |
|---|---|
| InChI | InChI=1S/C30H46O7/c1-26(2)18-7-8-22-27(3)12-21-24(29(5,36)11-17(37-21)9-16(14-31)15-32)28(27,4)13-23(34)30(22,6)19(18)10-20(33)25(26)35/h7,9,17,19-22,24-25,31-33,35-36H,8,10-15H2,1-6H3/t17-,19-,20+,21-,22+,24?,25-,27+,28-,29+,30-/m1/s1 |
| InChIKey | HUHLZWDMFWVGMQ-BQRGUPAOSA-N |
| Mol Weight | 518.7 g/mol |
| Molecular Formula | C30H46O7 |
| Exact Mass | 518.324354 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 509jQFBszaR |
|---|---|
| Name | SCANDENOGENIN-D;2-BETA,3-ALPHA,20S,26,27-PENTAHYDROXY-16-ALPHA,23S-EPOXYCUCURBITA-5,24-DIEN-11-ONE |
| Compound Number | 4A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H46O7 |
| InChI | InChI=1S/C30H46O7/c1-26(2)18-7-8-22-27(3)12-21-24(29(5,36)11-17(37-21)9-16(14-31)15-32)28(27,4)13-23(34)30(22,6)19(18)10-20(33)25(26)35/h7,9,17,19-22,24-25,31-33,35-36H,8,10-15H2,1-6H3/t17-,19-,20+,21-,22+,24?,25-,27+,28-,29+,30-/m1/s1 |
| InChIKey | HUHLZWDMFWVGMQ-BQRGUPAOSA-N |
| Literature Reference Author | H.KUBO,K.OHTANI,R.KASAI,K.YAMASAKI,R.L.NIE,O.TANAKA |
| Literature Reference Citation | PHYTOCHEM.,41,1169(1996) |
| Literature Reference DOI | 10.1016/0031-9422(95)00722-9 |
| Molecular Weight | 518.691 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU4299 |