| SpectraBase Compound ID | GZgRZhrhMSi |
|---|---|
| InChI | InChI=1S/C48H80O3/c1-9-10-17-20-41-42(50-41)21-18-15-13-11-12-14-16-19-22-44(49)51-40-28-30-47-33-48(47)32-31-45(7)38(36(5)24-23-35(4)34(2)3)27-29-46(45,8)43(48)26-25-39(47)37(40)6/h15,18,34,36-43H,4,9-14,16-17,19-33H2,1-3,5-8H3/b18-15-/t36?,37-,38?,39?,40-,41?,42?,43?,45+,46-,47+,48-/m0/s1 |
| InChIKey | DQNQHBPMYYLQDU-YIBCKGQUSA-N |
| Mol Weight | 705.2 g/mol |
| Molecular Formula | C48H80O3 |
| Exact Mass | 704.610746 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3aD6u5vuIEy |
|---|---|
| Name | CYCLOEUCALENOL-VERNOLITATE |
| Compound Number | 14 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H80O3 |
| InChI | InChI=1S/C48H80O3/c1-9-10-17-20-41-42(50-41)21-18-15-13-11-12-14-16-19-22-44(49)51-40-28-30-47-33-48(47)32-31-45(7)38(36(5)24-23-35(4)34(2)3)27-29-46(45,8)43(48)26-25-39(47)37(40)6/h15,18,34,36-43H,4,9-14,16-17,19-33H2,1-3,5-8H3/b18-15-/t36?,37-,38?,39?,40-,41?,42?,43?,45+,46-,47+,48-/m0/s1 |
| InChIKey | DQNQHBPMYYLQDU-YIBCKGQUSA-N |
| Literature Reference Author | C.K.LEE,M.H.CHANG |
| Literature Reference Citation | J.CHIN.CHEM.SOC.,47,555(2000) |
| Literature Reference DOI | 10.1002/jccs.200000074 |
| Molecular Weight | 705.161 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMS3303 |