| SpectraBase Compound ID | LdC6WxaK6E |
|---|---|
| InChI | InChI=1S/C30H50O2/c1-19(2)22-10-16-29(7)23(28(22,6)18-13-25(31)32)12-17-30(8)24(29)11-15-27(5)14-9-20(3)21(4)26(27)30/h19,21-24,26H,3,9-18H2,1-2,4-8H3,(H,31,32)/t21-,22-,23+,24-,26-,27+,28-,29+,30-/m0/s1 |
| InChIKey | CXSHYRUNEXVKRX-OBHNEMDBSA-N |
| Mol Weight | 442.7 g/mol |
| Molecular Formula | C30H50O2 |
| Exact Mass | 442.381081 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9N46FZB48hu |
|---|---|
| Name | 3,4-SECO-URS-20-(30)-EN-3-OIC_ACID |
| Compound Number | 22 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H50O2 |
| InChI | InChI=1S/C30H50O2/c1-19(2)22-10-16-29(7)23(28(22,6)18-13-25(31)32)12-17-30(8)24(29)11-15-27(5)14-9-20(3)21(4)26(27)30/h19,21-24,26H,3,9-18H2,1-2,4-8H3,(H,31,32)/t21-,22-,23+,24-,26-,27+,28-,29+,30-/m0/s1 |
| InChIKey | CXSHYRUNEXVKRX-OBHNEMDBSA-N |
| Literature Reference Author | M.C.ROY,F.R.CHANG,H.C.HUANG,M.Y.N.CHIANG,Y.C.WU |
| Literature Reference Citation | J.NAT.PROD.,68,1494(2005) |
| Literature Reference DOI | 10.1021/np0501740 |
| Molecular Weight | 442.726 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ13215 |