| SpectraBase Compound ID | BaVxJ29fXAp |
|---|---|
| InChI | InChI=1S/C22H36O7/c1-18-9-6-10-19(2,15(23)24)13(18)7-11-20(3)14(18)8-12-21(25)16(27-4)29-17(28-5)22(20,21)26/h13-14,16-17,25-26H,6-12H2,1-5H3,(H,23,24)/t13?,14?,16?,17-,18-,19-,20+,21-,22+/m0/s1 |
| InChIKey | SAZREVKRZBBRGR-LHCODRNPSA-N |
| Mol Weight | 412.5 g/mol |
| Molecular Formula | C22H36O7 |
| Exact Mass | 412.246103 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KiPLxkGKX4T |
|---|---|
| Name | 13-BETA,14-ALPHA-DIHYDROXY-15-ALPHA,16-XI-DIMETHOXYSPONGIAN-19-OIC-ACID |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H36O7 |
| InChI | InChI=1S/C22H36O7/c1-18-9-6-10-19(2,15(23)24)13(18)7-11-20(3)14(18)8-12-21(25)16(27-4)29-17(28-5)22(20,21)26/h13-14,16-17,25-26H,6-12H2,1-5H3,(H,23,24)/t13?,14?,16?,17-,18-,19-,20+,21-,22+/m0/s1 |
| InChIKey | SAZREVKRZBBRGR-LHCODRNPSA-N |
| Literature Reference Author | C.J.LI,F.J.SCHMITZ,M.KELLY-BORGES |
| Literature Reference Citation | J.NAT.PROD.,62,287(1999) |
| Literature Reference DOI | 10.1021/np9803981 |
| Molecular Weight | 412.524 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCP693 |